2-Cyclohexyl-2-methylpropane-1,3-diol
Basic information
- CAS
2037-62-9- Standard SMILES
CC(CO)(CO)C1CCCCC1- InChIKey
XZUSMSQZIRXYGI-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 2-Cyclohexyl-2-methylpropane-1,3-diol
- IUPAC
- 2-cyclohexyl-2-methylpropane-1,3-diol
Names & synonyms
2037-62-92-cyclohexyl-2-methylpropane-1,3-diolNSC193324SCHEMBL240925DTXSID90307595NSC-193324
Database identifiers
- CAS
2037-62-9- PubChem CID
- 303693
- DTXSID
DTXSID90307595
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 124
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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