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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H18O2
Molecular Weight 170.2487
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SOBREROL, TRANS-(+)-

SMILES

CC1=CC[C@@H](C[C@H]1O)C(C)(C)O

InChI

InChIKey=OMDMTHRBGUBUCO-DTWKUNHWSA-N
InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8-,9+/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H18O2
Molecular Weight 170.2487
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 10:59:07 GMT 2023
Edited
by admin
on Sat Dec 16 10:59:07 GMT 2023
Record UNII
3209BKF16V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SOBREROL, TRANS-(+)-
Common Name English
SOBREROL D-TRANS-FORM [MI]
Common Name English
3-CYCLOHEXENE-1-METHANOL, 5-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-, (1S,5R)-
Systematic Name English
5-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-3-CYCLOHEXENE-1-METHANOL, TRANS-(+)-
Systematic Name English
(+)-TRANS-SOBREROL
Common Name English
Code System Code Type Description
CAS
38235-58-4
Created by admin on Sat Dec 16 10:59:07 GMT 2023 , Edited by admin on Sat Dec 16 10:59:07 GMT 2023
PRIMARY
FDA UNII
3209BKF16V
Created by admin on Sat Dec 16 10:59:07 GMT 2023 , Edited by admin on Sat Dec 16 10:59:07 GMT 2023
PRIMARY
ECHA (EC/EINECS)
253-844-9
Created by admin on Sat Dec 16 10:59:07 GMT 2023 , Edited by admin on Sat Dec 16 10:59:07 GMT 2023
PRIMARY
MERCK INDEX
m9975
Created by admin on Sat Dec 16 10:59:07 GMT 2023 , Edited by admin on Sat Dec 16 10:59:07 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID80191627
Created by admin on Sat Dec 16 10:59:07 GMT 2023 , Edited by admin on Sat Dec 16 10:59:07 GMT 2023
PRIMARY
PUBCHEM
854499
Created by admin on Sat Dec 16 10:59:07 GMT 2023 , Edited by admin on Sat Dec 16 10:59:07 GMT 2023
PRIMARY
Related Record Type Details
DIASTEREOISOMER -> DIASTEREOISOMER
RACEMATE -> ENANTIOMER
DIASTEREOISOMER -> DIASTEREOISOMER
ENANTIOMER -> ENANTIOMER