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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H18O3
Molecular Weight 174.2374
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6-Dihydroxy-2,6-dimethyl-4-heptanone

SMILES

CC(C)(O)CC(=O)CC(C)(C)O

InChI

InChIKey=GSKOWRJEBKQTKZ-UHFFFAOYSA-N
InChI=1S/C9H18O3/c1-8(2,11)5-7(10)6-9(3,4)12/h11-12H,5-6H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
4-Heptanone, 2,6-dihydroxy-2,6-dimethyl-
Preferred Name English
2,6-Dihydroxy-2,6-dimethyl-4-heptanone
Systematic Name English
Code System Code Type Description
CAS
3682-91-5
Created by admin on Tue Apr 01 19:11:13 GMT 2025 , Edited by admin on Tue Apr 01 19:11:13 GMT 2025
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FDA UNII
QQA5MG626B
Created by admin on Tue Apr 01 19:11:13 GMT 2025 , Edited by admin on Tue Apr 01 19:11:13 GMT 2025
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ECHA (EC/EINECS)
222-968-5
Created by admin on Tue Apr 01 19:11:13 GMT 2025 , Edited by admin on Tue Apr 01 19:11:13 GMT 2025
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PUBCHEM
77259
Created by admin on Tue Apr 01 19:11:13 GMT 2025 , Edited by admin on Tue Apr 01 19:11:13 GMT 2025
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EPA CompTox
DTXSID2063133
Created by admin on Tue Apr 01 19:11:13 GMT 2025 , Edited by admin on Tue Apr 01 19:11:13 GMT 2025
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