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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 2,2-DIMETHYLPENTANE

SMILES

CCCC(C)(C)C

InChI

InChIKey=CXOWYJMDMMMMJO-UHFFFAOYSA-N
InChI=1S/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3

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
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
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:47:32 GMT 2023
Edited
by admin
on Fri Dec 15 17:47:32 GMT 2023
Record UNII
M82T90QEVX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2-DIMETHYLPENTANE
Systematic Name English
PENTANE, 2,2-DIMETHYL-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
209-680-5
Created by admin on Fri Dec 15 17:47:32 GMT 2023 , Edited by admin on Fri Dec 15 17:47:32 GMT 2023
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FDA UNII
M82T90QEVX
Created by admin on Fri Dec 15 17:47:32 GMT 2023 , Edited by admin on Fri Dec 15 17:47:32 GMT 2023
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WIKIPEDIA
2,2-Dimethylpentane
Created by admin on Fri Dec 15 17:47:32 GMT 2023 , Edited by admin on Fri Dec 15 17:47:32 GMT 2023
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CAS
590-35-2
Created by admin on Fri Dec 15 17:47:32 GMT 2023 , Edited by admin on Fri Dec 15 17:47:32 GMT 2023
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EPA CompTox
DTXSID5060439
Created by admin on Fri Dec 15 17:47:32 GMT 2023 , Edited by admin on Fri Dec 15 17:47:32 GMT 2023
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PUBCHEM
11542
Created by admin on Fri Dec 15 17:47:32 GMT 2023 , Edited by admin on Fri Dec 15 17:47:32 GMT 2023
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