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

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H14O
Molecular Weight 114.1855
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLHEXANAL, (S)-

SMILES

CCCC[C@H](C)C=O

InChI

InChIKey=BHVGMUDWABJNRC-ZETCQYMHSA-N
InChI=1S/C7H14O/c1-3-4-5-7(2)6-8/h6-7H,3-5H2,1-2H3/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H14O
Molecular Weight 114.1855
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 11:31:22 GMT 2023
Edited
by admin
on Sat Dec 16 11:31:22 GMT 2023
Record UNII
4W2UHT6RBE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYLHEXANAL, (S)-
Systematic Name English
(S)-2-METHYL-1-HEXANAL
Systematic Name English
2-METHYLHEXANAL, (+)-
Systematic Name English
(+)-2-METHYLHEXANAL
Systematic Name English
HEXANAL, 2-METHYL-, (2S)-
Systematic Name English
(2S)-2-METHYLHEXANAL
Systematic Name English
Code System Code Type Description
PUBCHEM
10975455
Created by admin on Sat Dec 16 11:31:22 GMT 2023 , Edited by admin on Sat Dec 16 11:31:22 GMT 2023
PRIMARY
CAS
66875-71-6
Created by admin on Sat Dec 16 11:31:22 GMT 2023 , Edited by admin on Sat Dec 16 11:31:22 GMT 2023
PRIMARY
FDA UNII
4W2UHT6RBE
Created by admin on Sat Dec 16 11:31:22 GMT 2023 , Edited by admin on Sat Dec 16 11:31:22 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER