(1R,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
Basic information
- CAS
54164-89-5- Standard SMILES
CC1=CC[C@@H](C(C)(C)O)C[C@H]1O- InChIKey
OMDMTHRBGUBUCO-RKDXNWHRSA-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
- (1R,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
- IUPAC
- (1R,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
Names & synonyms
(-)-cis-SobrerolSobrerol, cis-(-)-KB79ULW67Zp-Menth-6-ene-2,8-diol, (-)-UNII-KB79ULW67Zp-Menth-6-en-2,8-diol, cis(1R,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol772-36-154164-89-5(1R,5R)-5-Hydroxy-alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol3-Cyclohexene-1-methanol, 5-hydroxy-alpha,alpha,4-trimethyl-, (1R,5R)-3-Cyclohexene-1-methanol, 5-hydroxy-alpha,alpha,4-trimethyl-, (1R-cis)-
Show more names
JDG43UH3KHSobrerol, cis-, (+/-)-cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanolCIS-SORBREROL(+/-)-CIS-SOBREROLDTXSID801179785AKOS015913700CIS-P-MENTH-6-ENE-2,8-DIOL
Database identifiers
- CAS
54164-89-5、772-36-1- PubChem CID
- 854497
- DTXSID
DTXSID801179785- UNII
- JDG43UH3KH、KB79ULW67Z
- EC Number
- 259-005-3
- Nikkaji
- J86.010G
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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