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Details

Stereochemistry RACEMIC
Molecular Formula C17H22O2
Molecular Weight 258.3554
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Methyl-4-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol, rel-

SMILES

CC(=C)[C@@H]1CCC(C)=C[C@H]1C2=C(O)C=C(O)C=C2C

InChI

InChIKey=KDZOUSULXZNDJH-LSDHHAIUSA-N
InChI=1S/C17H22O2/c1-10(2)14-6-5-11(3)7-15(14)17-12(4)8-13(18)9-16(17)19/h7-9,14-15,18-19H,1,5-6H2,2-4H3/t14-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H22O2
Molecular Weight 258.3554
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 15:39:13 GMT 2025
Edited
by admin
on Wed Apr 02 15:39:13 GMT 2025
Record UNII
BXF9RU99NM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Methyl-4-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol, rel-
Systematic Name English
1,3-Benzenediol, 5-methyl-4-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-, rel-
Preferred Name English
rel-5-Methyl-4-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol
Systematic Name English
Code System Code Type Description
FDA UNII
BXF9RU99NM
Created by admin on Wed Apr 02 15:39:13 GMT 2025 , Edited by admin on Wed Apr 02 15:39:13 GMT 2025
PRIMARY
CAS
1884645-10-6
Created by admin on Wed Apr 02 15:39:13 GMT 2025 , Edited by admin on Wed Apr 02 15:39:13 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE