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Details

Stereochemistry RACEMIC
Molecular Formula C8H18O
Molecular Weight 130.2279
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-Dimethyl-1-hexanol, threo-

SMILES

CC[C@@H](C)[C@H](C)CCO

InChI

InChIKey=QVFKMROLPSPCIX-HTQZYQBOSA-N
InChI=1S/C8H18O/c1-4-7(2)8(3)5-6-9/h7-9H,4-6H2,1-3H3/t7-,8-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-Hexanol, 3,4-dimethyl-, (3R,4R)-rel-
Preferred Name English
3,4-Dimethyl-1-hexanol, threo-
Systematic Name English
rel-(3R,4R)-3,4-Dimethyl-1-hexanol
Systematic Name English
3,4-Dimethyl-1-hexanol, rel-(3R,4R)-
Systematic Name English
Code System Code Type Description
FDA UNII
ED55SCX8GQ
Created by admin on Wed Apr 02 20:30:18 GMT 2025 , Edited by admin on Wed Apr 02 20:30:18 GMT 2025
PRIMARY
CAS
111675-55-9
Created by admin on Wed Apr 02 20:30:18 GMT 2025 , Edited by admin on Wed Apr 02 20:30:18 GMT 2025
PRIMARY
PUBCHEM
170849449
Created by admin on Wed Apr 02 20:30:18 GMT 2025 , Edited by admin on Wed Apr 02 20:30:18 GMT 2025
PRIMARY
NIH
NCATS
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