Basic information
- CAS
32226-54-3- Standard SMILES
CC1=CCC(C(C)(C)O)C[C@@H]1O- InChIKey
OMDMTHRBGUBUCO-GKAPJAKFSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- Sobrepin
- IUPAC
- (1S)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
Names & synonyms
SobrepinDTXSID60185983RefChem:931900DTXCID0010847432226-54-3(1S)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-olSCHEMBL19835NS00029235Q3963210
Database identifiers
- CAS
32226-54-3- PubChem CID
- 36089
- DTXSID
DTXSID60185983- EC Number
- 250-966-4
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
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents that increase mucous excretion. Mucolytic agents, that is drugs that liquefy mucous secretions, are also included here.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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