cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol
Basic information
- CAS
454-77-3- Standard SMILES
CC1=CC[C@H](C(C)(C)O)C[C@@H]1O- InChIKey
OMDMTHRBGUBUCO-IUCAKERBSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Overview
cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol has been reported in Cyperus longus with data available.
Names & identifiers
- Preferred name
- cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol
- IUPAC
- (1S,5S)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
Names & synonyms
(+)-cis-SobrerolSobrerol, cis-(+)-E3R5TBJ77E(1S,5S)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-olUNII-E3R5TBJ77E54164-89-5454-77-3cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol(1S,5S)-5-Hydroxy-alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol3-Cyclohexene-1-methanol, 5-hydroxy-alpha,alpha,4-trimethyl-, (1S,5S)-3-Cyclohexene-1-methanol, 5-hydroxy-alpha,alpha,4-trimethyl-, (1S-cis)-JDG43UH3KH
Show more names
Sobrerol, cis-, (+/-)-Cis-SobrerolEINECS 259-005-3UNII-JDG43UH3KHSCHEMBL29710376OMDMTHRBGUBUCO-IUCAKERBSA-N(1S,5S)-5-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-3-CYCLOHEXENE-1-METHANOL3-CYCLOHEXENE-1-METHANOL, 5-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-, (1S,5S)-
Database identifiers
- CAS
454-77-3、54164-89-5- PubChem CID
- 854500
- UNII
- E3R5TBJ77E
- EC Number
- 259-005-3
- Nikkaji
- J86.009C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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