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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H18O
Molecular Weight 130.2279
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Methyl-4-heptanol

SMILES

CCCC(C)(O)CCC

InChI

InChIKey=IQXKGRKRIRMQCQ-UHFFFAOYSA-N
InChI=1S/C8H18O/c1-4-6-8(3,9)7-5-2/h9H,4-7H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
4-Methyl-4-heptanol
Systematic Name English
NSC-71544
Preferred Name English
4-Hydroxy-4-methylheptane
Systematic Name English
4-Heptanol, 4-methyl-
Systematic Name English
4-Methylheptan-4-ol
Systematic Name English
Code System Code Type Description
PUBCHEM
136394
Created by admin on Wed Apr 02 12:13:21 GMT 2025 , Edited by admin on Wed Apr 02 12:13:21 GMT 2025
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FDA UNII
UY4L629D4F
Created by admin on Wed Apr 02 12:13:21 GMT 2025 , Edited by admin on Wed Apr 02 12:13:21 GMT 2025
PRIMARY
CAS
598-01-6
Created by admin on Wed Apr 02 12:13:21 GMT 2025 , Edited by admin on Wed Apr 02 12:13:21 GMT 2025
PRIMARY
NSC
71544
Created by admin on Wed Apr 02 12:13:21 GMT 2025 , Edited by admin on Wed Apr 02 12:13:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID60208525
Created by admin on Wed Apr 02 12:13:21 GMT 2025 , Edited by admin on Wed Apr 02 12:13:21 GMT 2025
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