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Details

Stereochemistry ACHIRAL
Molecular Formula C7H16
Molecular Weight 100.2019
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLHEXANE

SMILES

CCCCC(C)C

InChI

InChIKey=GXDHCNNESPLIKD-UHFFFAOYSA-N
InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C7H16
Molecular Weight 100.2019
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
[Allelopathy and chemical constituents of Ligularia virgaurea volatile].
2005 Oct
Study of the thermal diffusion behavior of alkane/benzene mixtures by thermal diffusion forced rayleigh scattering experiments and lattice model calculations.
2006 Dec 28
Rate constants of nine C6-C9 alkanes with OH from 230 to 379 K: chemical tracers for [OH].
2009 Apr 30
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 Jul 23
Decomposition and isomerization of 5-methylhex-1-yl radical.
2010 Aug 5
A three year study on 14 VOCs at one site in Rome: levels, seasonal variations, indoor/outdoor ratio and temporal trends.
2010 Oct
Biodegradation of the major color containing compounds in distillery wastewater by an aerobic bacterial culture and characterization of their metabolites.
2010 Sep
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:38:02 UTC 2023
Edited
by admin
on Fri Dec 15 18:38:02 UTC 2023
Record UNII
YI4679P2SP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYLHEXANE
Systematic Name English
ISOHEPTANE
Common Name English
HEXANE, 2-METHYL-
Systematic Name English
NSC-24840
Code English
Code System Code Type Description
EPA CompTox
DTXSID5052256
Created by admin on Fri Dec 15 18:38:02 UTC 2023 , Edited by admin on Fri Dec 15 18:38:02 UTC 2023
PRIMARY
ECHA (EC/EINECS)
209-730-6
Created by admin on Fri Dec 15 18:38:02 UTC 2023 , Edited by admin on Fri Dec 15 18:38:02 UTC 2023
PRIMARY
PUBCHEM
11582
Created by admin on Fri Dec 15 18:38:02 UTC 2023 , Edited by admin on Fri Dec 15 18:38:02 UTC 2023
PRIMARY
CAS
591-76-4
Created by admin on Fri Dec 15 18:38:02 UTC 2023 , Edited by admin on Fri Dec 15 18:38:02 UTC 2023
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NSC
24840
Created by admin on Fri Dec 15 18:38:02 UTC 2023 , Edited by admin on Fri Dec 15 18:38:02 UTC 2023
PRIMARY
WIKIPEDIA
2-Methylhexane
Created by admin on Fri Dec 15 18:38:02 UTC 2023 , Edited by admin on Fri Dec 15 18:38:02 UTC 2023
PRIMARY
FDA UNII
YI4679P2SP
Created by admin on Fri Dec 15 18:38:02 UTC 2023 , Edited by admin on Fri Dec 15 18:38:02 UTC 2023
PRIMARY