Basic information
- CAS
19780-83-7- Standard SMILES
CC#CCC(C)O- InChIKey
IKROQHVDACEGBA-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- 4-Hexyn-2-ol
- IUPAC
- hex-4-yn-2-ol
- English name
- 4-Hexyn-2-ol
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
4-HEXYN-2-OL19780-83-7RefChem:1070719Hex-4-yn-2-olSCHEMBL712717SCHEMBL712718SCHEMBL18694755DTXSID70512685IKROQHVDACEGBA-UHFFFAOYSA-NAKOS011594555(+/-)-hex-4-yn-2-ol
Database identifiers
- CAS
19780-83-7- PubChem CID
- 12908367
- DTXSID
DTXSID70512685- Nikkaji
- J147.968G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 93.2
Physicochemical properties
- Melting point
- -34 °C · -34°C (estimate)
- Boiling point
- 153.68 °C · 153.68°C (rough estimate)
- Density
- 0.8339 · 0.8339 (estimate)
- refractive index
- 1.4325 · 1.4325 (estimate)
- pka
- 14.45 · 14.45±0.20(Predicted)
Chemistry & industry
Suppliers1 total
Chemiplus Corporation[email protected]
Related reactions
1 records
Compound notes
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