U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H16
Molecular Weight 100.2019
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYLHEXANE, (+)-

SMILES

CCC[C@@H](C)CC

InChI

InChIKey=VLJXXKKOSFGPHI-ZETCQYMHSA-N
InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H16
Molecular Weight 100.2019
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:53:19 GMT 2023
Edited
by admin
on Sat Dec 16 09:53:19 GMT 2023
Record UNII
66M56682SH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLHEXANE, (+)-
Systematic Name English
(+)-3-METHYLHEXANE
Systematic Name English
HEXANE, 3-METHYL-, (3S)-
Systematic Name English
(S)-3-METHYLHEXANE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00348535
Created by admin on Sat Dec 16 09:53:19 GMT 2023 , Edited by admin on Sat Dec 16 09:53:19 GMT 2023
PRIMARY
PUBCHEM
638046
Created by admin on Sat Dec 16 09:53:19 GMT 2023 , Edited by admin on Sat Dec 16 09:53:19 GMT 2023
PRIMARY
FDA UNII
66M56682SH
Created by admin on Sat Dec 16 09:53:19 GMT 2023 , Edited by admin on Sat Dec 16 09:53:19 GMT 2023
PRIMARY
CAS
6131-24-4
Created by admin on Sat Dec 16 09:53:19 GMT 2023 , Edited by admin on Sat Dec 16 09:53:19 GMT 2023
PRIMARY