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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H14O2
Molecular Weight 154.2063
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isophorone oxide, (-)-

SMILES

C[C@]12CC(C)(C)CC(=O)[C@H]1O2

InChI

InChIKey=ROTNQFPVXVZSRL-APPZFPTMSA-N
InChI=1S/C9H14O2/c1-8(2)4-6(10)7-9(3,5-8)11-7/h7H,4-5H2,1-3H3/t7-,9+/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H14O2
Molecular Weight 154.2063
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:07:54 GMT 2025
Edited
by admin
on Wed Apr 02 12:07:54 GMT 2025
Record UNII
6Y3VY3NN6J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1S,6S)-4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
Preferred Name English
Isophorone oxide, (-)-
Common Name English
7-Oxabicyclo[4.1.0]heptan-2-one, 4,4,6-trimethyl-, (1S,6S)-
Systematic Name English
Code System Code Type Description
FDA UNII
6Y3VY3NN6J
Created by admin on Wed Apr 02 12:07:54 GMT 2025 , Edited by admin on Wed Apr 02 12:07:54 GMT 2025
PRIMARY
PUBCHEM
6932258
Created by admin on Wed Apr 02 12:07:54 GMT 2025 , Edited by admin on Wed Apr 02 12:07:54 GMT 2025
PRIMARY
CAS
1027239-72-0
Created by admin on Wed Apr 02 12:07:54 GMT 2025 , Edited by admin on Wed Apr 02 12:07:54 GMT 2025
PRIMARY