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 UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-DIMETHYL VALERALDEHYDE, (2S,3R)-

SMILES

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

InChI

InChIKey=BOHKXQAJUVXBDQ-RNFRBKRXSA-N
InChI=1S/C7H14O/c1-4-6(2)7(3)5-8/h5-7H,4H2,1-3H3/t6-,7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H14O
Molecular Weight 114.1855
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:42:40 GMT 2023
Edited
by admin
on Sat Dec 16 18:42:40 GMT 2023
Record UNII
W7DBJ5A7YU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-DIMETHYL VALERALDEHYDE, (2S,3R)-
Common Name English
PENTANAL, 2,3-DIMETHYL-, (2S,3R)-
Systematic Name English
(2S,3R)-2,3-DIMETHYLPENTANAL
Systematic Name English
Code System Code Type Description
FDA UNII
W7DBJ5A7YU
Created by admin on Sat Dec 16 18:42:40 GMT 2023 , Edited by admin on Sat Dec 16 18:42:40 GMT 2023
PRIMARY
CAS
1821723-09-4
Created by admin on Sat Dec 16 18:42:40 GMT 2023 , Edited by admin on Sat Dec 16 18:42:40 GMT 2023
PRIMARY
PUBCHEM
6994457
Created by admin on Sat Dec 16 18:42:40 GMT 2023 , Edited by admin on Sat Dec 16 18:42:40 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER