Basic information
- CAS
3280-51-1- Standard SMILES
C=CC=CC(C)O- InChIKey
VAOJQRMYAXTUQI-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- Hexa-3,5-dien-2-ol
- IUPAC
- hexa-3,5-dien-2-ol
- English name
- 3,5-Hexadien-2-ol
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
hexa-3,5-dien-2-ol3280-51-1DTXSID30954461RefChem:1086491DTXCID701382480SCHEMBL3222504SCHEMBL10399844SCHEMBL29156958VAOJQRMYAXTUQI-UHFFFAOYSA-N3,5-Hexadien-2-ol
Database identifiers
- CAS
3280-51-1- PubChem CID
- 520595
- DTXSID
DTXSID30954461
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 74.2
Physicochemical properties
- Melting point
- 30.5 °C · 30.5°C (estimate)
- Boiling point
- 133.68 °C · 133.68°C (estimate)
- Density
- 0.8678 · 0.8678
- refractive index
- 1.4896 · 1.4896
- pka
- 14.52 · 14.52±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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