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

Details

Stereochemistry RACEMIC
Molecular Formula C7H16O
Molecular Weight 116.2013
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Methylhexanol

SMILES

CCC(C)CCCO

InChI

InChIKey=YNPVNLWKVZZBTM-UHFFFAOYSA-N
InChI=1S/C7H16O/c1-3-7(2)5-4-6-8/h7-8H,3-6H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-109153
Preferred Name English
4-Methylhexanol
Systematic Name English
4-METHYL-1-HEXANOL
Systematic Name English
1-HEXANOL, 4-METHYL-
Systematic Name English
4-ETHYL PENTANOL
Common Name English
Code System Code Type Description
PUBCHEM
98346
Created by admin on Wed Apr 02 12:16:31 GMT 2025 , Edited by admin on Wed Apr 02 12:16:31 GMT 2025
PRIMARY
FDA UNII
7V4YSK64WM
Created by admin on Wed Apr 02 12:16:31 GMT 2025 , Edited by admin on Wed Apr 02 12:16:31 GMT 2025
PRIMARY
CAS
818-49-5
Created by admin on Wed Apr 02 12:16:31 GMT 2025 , Edited by admin on Wed Apr 02 12:16:31 GMT 2025
PRIMARY
NSC
109153
Created by admin on Wed Apr 02 12:16:31 GMT 2025 , Edited by admin on Wed Apr 02 12:16:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID60862424
Created by admin on Wed Apr 02 12:16:31 GMT 2025 , Edited by admin on Wed Apr 02 12:16:31 GMT 2025
PRIMARY