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Details

Stereochemistry RACEMIC
Molecular Formula C7H16
Molecular Weight 100.2019
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYLHEXANE

SMILES

CCCC(C)CC

InChI

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

HIDE SMILES / InChI

Molecular Formula C7H16
Molecular Weight 100.2019
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Rate constants of nine C6-C9 alkanes with OH from 230 to 379 K: chemical tracers for [OH].
2009-04-30
Gas chromatographic enantioseparation of unfunctionalized chiral alkanes: a challenge in separation science (overview, state of the art, and perspectives).
2009-01
Study of the thermal diffusion behavior of alkane/benzene mixtures by thermal diffusion forced rayleigh scattering experiments and lattice model calculations.
2006-12-28
[Allelopathy and chemical constituents of Ligularia virgaurea volatile].
2005-10
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:53:27 GMT 2025
Edited
by admin
on Mon Mar 31 22:53:27 GMT 2025
Record UNII
1J3ZK6L6VY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-73937
Preferred Name English
3-METHYLHEXANE
Systematic Name English
(±)-3-METHYLHEXANE
Systematic Name English
HEXANE, 3-METHYL-
Systematic Name English
2-ETHYLPENTANE
Systematic Name English
Code System Code Type Description
NSC
73937
Created by admin on Mon Mar 31 22:53:27 GMT 2025 , Edited by admin on Mon Mar 31 22:53:27 GMT 2025
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PUBCHEM
11507
Created by admin on Mon Mar 31 22:53:27 GMT 2025 , Edited by admin on Mon Mar 31 22:53:27 GMT 2025
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CAS
589-34-4
Created by admin on Mon Mar 31 22:53:27 GMT 2025 , Edited by admin on Mon Mar 31 22:53:27 GMT 2025
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EPA CompTox
DTXSID3044334
Created by admin on Mon Mar 31 22:53:27 GMT 2025 , Edited by admin on Mon Mar 31 22:53:27 GMT 2025
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CHEBI
143848
Created by admin on Mon Mar 31 22:53:27 GMT 2025 , Edited by admin on Mon Mar 31 22:53:27 GMT 2025
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ECHA (EC/EINECS)
209-643-3
Created by admin on Mon Mar 31 22:53:27 GMT 2025 , Edited by admin on Mon Mar 31 22:53:27 GMT 2025
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FDA UNII
1J3ZK6L6VY
Created by admin on Mon Mar 31 22:53:27 GMT 2025 , Edited by admin on Mon Mar 31 22:53:27 GMT 2025
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WIKIPEDIA
3-Methylhexane
Created by admin on Mon Mar 31 22:53:27 GMT 2025 , Edited by admin on Mon Mar 31 22:53:27 GMT 2025
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