3-Methyl-3-phenylpentane-1,5-diol
Basic information
- CAS
84100-46-9- Standard SMILES
CC(CCO)(CCO)c1ccccc1- InChIKey
QIGUSNIFPVCARD-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067982
Names & identifiers
- Preferred name
- 3-Methyl-3-phenylpentane-1,5-diol
- IUPAC
- 3-methyl-3-phenylpentane-1,5-diol
- English name
- 3-methyl-3-phenylpentane-1,5-diol
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
3-Methyl-3-phenylpentane-1,5-diol84100-46-93-Methyl-3-phenyl-pentane-1,5-diolMFCD19705304EINECS 282-125-2SCHEMBL344966DTXSID60232981BS-41675CS-0037025NS00038406W105253-Methyl-3-phenyl-1,5-pentanediol
Show more names
1,5-Pentanediol,3-methyl-3-phenyl-3-Methyl-3-Phenylpentane-1,5-Diol(WX640237)
Database identifiers
- CAS
84100-46-9- PubChem CID
- 3019682
- DTXSID
DTXSID60232981- EC Number
- 282-125-2
- Nikkaji
- J297.511D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 75 · 75-77 °C
- Boiling point
- 359.4 · 359.4±22.0 °C(Predicted)
- Density
- 1.054 · 1.054±0.06 g/cm3(Predicted)
- pka
- 14.71 · 14.71±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
2 records
Compound notes
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