5-Cyclohexyl-5-methylhexan-3-ol
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Basic information
- CAS
4927-33-7- Standard SMILES
CCC(O)CC(C)(C)C1CCCCC1- InChIKey
IXIFHBNAXLFBCN-UHFFFAOYSA-N- Molecular formula
- C13H26O
- Average molar mass
- 198.34 g/mol
- Monoisotopic mass
- 198.19836545
Names & identifiers
- Preferred name
- 5-Cyclohexyl-5-methylhexan-3-ol
- IUPAC
- 5-cyclohexyl-5-methylhexan-3-ol
- English name
- 5-cyclohexyl-5-methylhexan-3-ol
- Molecular formula
- C13H26O
- Molecular weight
- 198.34494
Names & synonyms
5-Cyclohexyl-5-methylhexan-3-ol4927-33-7EINECS 225-560-5DTXSID80964196IXIFHBNAXLFBCN-UHFFFAOYSA-NNS00045739Cyclohexanepropanol, α-ethyl-γ,γ-dimethyl-α-Ethyl-γ,γ-dimethylcyclohexane-1-propanol
Database identifiers
- CAS
4927-33-7- PubChem CID
- 107355
- DTXSID
DTXSID80964196- EC Number
- 225-560-5
- Nikkaji
- J203.193K
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 104 °C · 104 °C(Press: 3 Torr)
- Density
- 0.901 · 0.901±0.06 g/cm3(Predicted)
- pka
- 15.27 · 15.27±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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