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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H22O
Molecular Weight 158.2811
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Propyl-1-heptanol, (2R)-

SMILES

CCCCC[C@H](CO)CCC

InChI

InChIKey=YLQLIQIAXYRMDL-SNVBAGLBSA-N
InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H22O
Molecular Weight 158.2811
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 Mon Mar 31 23:42:58 GMT 2025
Edited
by admin
on Mon Mar 31 23:42:58 GMT 2025
Record UNII
BJP5PW8UEP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Propyl-1-heptanol, (2R)-
Systematic Name English
1-Heptanol, 2-propyl-, (R)-
Preferred Name English
(2R)-2-Propyl-1-heptanol
Systematic Name English
Code System Code Type Description
PUBCHEM
38988678
Created by admin on Mon Mar 31 23:42:58 GMT 2025 , Edited by admin on Mon Mar 31 23:42:58 GMT 2025
PRIMARY
FDA UNII
BJP5PW8UEP
Created by admin on Mon Mar 31 23:42:58 GMT 2025 , Edited by admin on Mon Mar 31 23:42:58 GMT 2025
PRIMARY
CAS
3000-92-8
Created by admin on Mon Mar 31 23:42:58 GMT 2025 , Edited by admin on Mon Mar 31 23:42:58 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER