Basic information
- CAS
69668-93-5- Standard SMILES
CCCCCCC#CC(C)O- InChIKey
PGIQIBRWODQISW-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- 3-Decyn-2-ol
- IUPAC
- dec-3-yn-2-ol
- English name
- 3-Decyn-2-ol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
3-Decyn-2-ol69668-93-5DTXSID10880759RefChem:93630DTXCID901022119PGIQIBRWODQISW-UHFFFAOYSA-Ndec-3-yn-2-olSCHEMBL5461848NS00095966
Database identifiers
- CAS
69668-93-5- PubChem CID
- 536504
- DTXSID
DTXSID10880759- Nikkaji
- J126.487G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 1.9 °C · 1.9°C (estimate)
- Boiling point
- 247.64 °C · 247.64°C (rough estimate)
- Density
- 0.8568 · 0.8568 (estimate)
- refractive index
- 1.4455 · 1.4455 (estimate)
- pka
- 13.27 · 13.27±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…