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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22O3
Molecular Weight 250.3334
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(4-HYDROXY-1,4-DIMETHYL-2-CYCLOHEXEN-1-YL)-3-(HYDROXYMETHYL)-4-METHYL-2-CYCLOPENTEN-1-ONE, (1S-(1.ALPHA.(S*),4.ALPHA.))-

SMILES

C[C@@]1(CC(=O)C=C1CO)[C@@]2(C)CC[C@@](C)(O)C=C2

InChI

InChIKey=MKMOUQVTTUPKSO-ILXRZTDVSA-N
InChI=1S/C15H22O3/c1-13(4-6-14(2,18)7-5-13)15(3)9-12(17)8-11(15)10-16/h4,6,8,16,18H,5,7,9-10H2,1-3H3/t13-,14+,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H22O3
Molecular Weight 250.3334
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:00:20 GMT 2025
Edited
by admin
on Tue Apr 01 18:00:20 GMT 2025
Record UNII
0YSY8DHV1M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(4-HYDROXY-1,4-DIMETHYL-2-CYCLOHEXEN-1-YL)-3-(HYDROXYMETHYL)-4-METHYL-2-CYCLOPENTEN-1-ONE, (1S-(1.ALPHA.(S*),4.ALPHA.))-
Common Name English
4-(4-HYDROXY-1,4-DIMETHYL-2-CYCLOHEXEN-1-YL)-3-(HYDROXYMETHYL)-4-METHYL-2-CYCLOPENTEN-1-ONE, (1S-(1ALPHA(S*),4ALPHA))-
Preferred Name English
(4R)-4-((1S,4R)-4-HYDROXY-1,4-DIMETHYL-CYCLOHEX-2-EN-1-YL)-3-(HYDROXYMETHYL)-4-METHYL-CYCLOPENT-2-EN-1-ONE
Systematic Name English
2-CYCLOPENTEN-1-ONE, 4-(4-HYDROXY-1,4-DIMETHYL-2-CYCLOHEXEN-1-YL)-3-(HYDROXYMETHYL)-4-METHYL-, (1S-(1.ALPHA.(S*),4.ALPHA.))-
Systematic Name English
Code System Code Type Description
CAS
122470-41-1
Created by admin on Tue Apr 01 18:00:20 GMT 2025 , Edited by admin on Tue Apr 01 18:00:20 GMT 2025
PRIMARY
PUBCHEM
126961363
Created by admin on Tue Apr 01 18:00:20 GMT 2025 , Edited by admin on Tue Apr 01 18:00:20 GMT 2025
PRIMARY
FDA UNII
0YSY8DHV1M
Created by admin on Tue Apr 01 18:00:20 GMT 2025 , Edited by admin on Tue Apr 01 18:00:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID901017487
Created by admin on Tue Apr 01 18:00:20 GMT 2025 , Edited by admin on Tue Apr 01 18:00:20 GMT 2025
PRIMARY