2,2-DIMETHYLBUTANE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H14
Molecular Weight	86.1754
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC(C)(C)C

InChI

InChIKey=HNRMPXKDFBEGFZ-UHFFFAOYSA-N

InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C6H14
Molecular Weight	86.1754
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
A computational analysis of the binding model of MDM2 with inhibitors.	2010-08	20490618
Inhibition of natural gas hydrates in the presence of liquid hydrocarbons forming structure H.	2010-05-13	20397674
Direct space methods for powder X-ray diffraction for guest-host materials: applications to cage occupancies and guest distributions in clathrate hydrates.	2010-01-20	20000734
Mass spectrometric analyses of organophosphate insecticide oxon protein adducts.	2010-01	20056576
Nerve agent analogues that produce authentic soman, sarin, tabun, and cyclohexyl methylphosphonate-modified human butyrylcholinesterase.	2009-10	19715348
Benchmark thermochemistry of the C(n)H(2n+2) alkane isomers (n = 2-8) and performance of DFT and composite ab initio methods for dispersion-driven isomeric equilibria.	2009-07-23	19569667
Electron spin relaxation rates for semiquinones between 25 and 295K in glass-forming solvents.	2009-05	19223213
Guest-host hydrogen bonding in structure H clathrate hydrates.	2009-03-23	19222042
Is there any microporosity in ordered mesoporous silicas?	2009-01-20	19177649
DNA aptamers developed against a soman derivative cross-react with the methylphosphonic acid core but not with flanking hydrophobic groups.	2008-12-04	19051203
Characterization of asymmetric fluorogenic phosphonates as probes for developing organophosphorus hydrolases with broader stereoselectivity.	2008-09-25	18588863
Five tyrosines and two serines in human albumin are labeled by the organophosphorus agent FP-biotin.	2008-09	18707141
The primary aerobic biodegradation of gasoline hydrocarbons.	2007-05-01	17539543
Asymmetric fluorogenic organophosphates for the development of active organophosphate hydrolases with reversed stereoselectivity.	2007-04-20	17129656
Enzyme-kinetic investigation of different sarin analogues reacting with human acetylcholinesterase and butyrylcholinesterase.	2007-04-20	16904809
Effects of molecular size and structure on self-diffusion coefficient and viscosity for saturated hydrocarbons having six carbon atoms.	2007	17898511
Hydrate kinetics study in the presence of nonaqueous liquid by nuclear magnetic resonance spectroscopy and imaging.	2006-12-28	17181224
n-Pentane and n-hexane as coguests in structure-H hydrates in mixtures of 2,2-dimethylbutane and methane.	2006-04-03	16521147
Adsorption of liquid mixtures on silicalite-1 zeolite: a density-bottle method.	2005-08-02	16042470
The trace analysis of alkyl alkylphosphonic acids in urine using gas chromatography-ion trap negative ion tandem mass spectrometry.	2005-02-25	15664357
Role of immunogen design in induction of soman-specific monoclonal antibodies.	2005-01-15	15585315
Mutant cholinesterases possessing enhanced capacity for reactivation of their phosphonylated conjugates.	2004-03-23	15023072
Iridium bis(phosphinite) p-XPCP pincer complexes: highly active catalysts for the transfer dehydrogenation of alkanes.	2004-02-18	14871112
[Preparation of monoclonal antibodies against neurotoxic agent raised from an organophosphorus hapten and its characterization].	2003-03	15151760
Hydraulic fluids and jet engine oil: pyrolysis and aircraft air quality.	2001-05-08	11339683
Novel histamine H(3)-receptor antagonists and partial agonists with a non-aminergic structure.	2001-04	11309237
Structure, dynamics, and stability of beta-cyclodextrin inclusion complexes of aspartame and neotame.	2001-04	11308366
Molecular dynamics study of active-site interactions with tetracoordinate transients in acetylcholinesterase and its mutants.	2001-02-01	11171062

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:59:25 GMT 2025` Edited by `admin` on `Mon Mar 31 18:59:25 GMT 2025`
Record UNII	07L56L3MP2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2-DIMETHYLBUTANE

Systematic Name

English

NSC-74126

Preferred Name

English

DIMETHYLBUTANE, 2,2-

Systematic Name

English

2,2-DIMETHYLBUTANE [HSDB]

Common Name

English

NEOHEXANE

Systematic Name

English

BUTANE, 2,2-DIMETHYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

6403