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

Details

Stereochemistry RACEMIC
Molecular Formula C8H18O
Molecular Weight 130.2279
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-DIMETHYL-1-HEXANOL

SMILES

CC(C)C(C)CCCO

InChI

InChIKey=QABJATQYUASJEM-UHFFFAOYSA-N
InChI=1S/C8H18O/c1-7(2)8(3)5-4-6-9/h7-9H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C8H18O
Molecular Weight 130.2279
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:03:48 GMT 2023
Edited
by admin
on Sat Dec 16 12:03:48 GMT 2023
Record UNII
J8MZY5V4CQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5-DIMETHYL-1-HEXANOL
Systematic Name English
4,5-DIMETHYLHEXAN-1-OL
Systematic Name English
1-HEXANOL, 4,5-DIMETHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90621405
Created by admin on Sat Dec 16 12:03:48 GMT 2023 , Edited by admin on Sat Dec 16 12:03:48 GMT 2023
PRIMARY
PUBCHEM
22002697
Created by admin on Sat Dec 16 12:03:48 GMT 2023 , Edited by admin on Sat Dec 16 12:03:48 GMT 2023
PRIMARY
CAS
60564-76-3
Created by admin on Sat Dec 16 12:03:48 GMT 2023 , Edited by admin on Sat Dec 16 12:03:48 GMT 2023
PRIMARY
FDA UNII
J8MZY5V4CQ
Created by admin on Sat Dec 16 12:03:48 GMT 2023 , Edited by admin on Sat Dec 16 12:03:48 GMT 2023
PRIMARY