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Details

Stereochemistry RACEMIC
Molecular Formula C9H16O2
Molecular Weight 156.2221
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3,5-TRIMETHYL-4-HYDROXYCYCLOHEXAN-1-ONE, CIS-(±)-

SMILES

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

InChI

InChIKey=CZFNEULXUXGILY-HTRCEHHLSA-N
InChI=1S/C9H16O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6,8,11H,4-5H2,1-3H3/t6-,8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H16O2
Molecular Weight 156.2221
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 Sat Dec 16 14:02:01 GMT 2023
Edited
by admin
on Sat Dec 16 14:02:01 GMT 2023
Record UNII
88JZK2FY2Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3,5-TRIMETHYL-4-HYDROXYCYCLOHEXAN-1-ONE, CIS-(±)-
Systematic Name English
(±)-CIS-4-HYDROXY-3,3,5-TRIMETHYLCYCLOHEXANONE
Systematic Name English
CYCLOHEXANONE, 4-HYDROXY-3,3,5-TRIMETHYL-, CIS-
Systematic Name English
Code System Code Type Description
FDA UNII
88JZK2FY2Z
Created by admin on Sat Dec 16 14:02:02 GMT 2023 , Edited by admin on Sat Dec 16 14:02:02 GMT 2023
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PUBCHEM
127260682
Created by admin on Sat Dec 16 14:02:02 GMT 2023 , Edited by admin on Sat Dec 16 14:02:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID60849194
Created by admin on Sat Dec 16 14:02:02 GMT 2023 , Edited by admin on Sat Dec 16 14:02:02 GMT 2023
PRIMARY
CAS
90044-36-3
Created by admin on Sat Dec 16 14:02:02 GMT 2023 , Edited by admin on Sat Dec 16 14:02:02 GMT 2023
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