Basic information
- CAS
69221-99-4- Standard SMILES
CC#CCCCCCCCCCO- InChIKey
QRCAOSBZJICIEK-UHFFFAOYSA-N- Molecular formula
- C12H22O
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.16706532
Overview
Dodec-10-yn-1-ol is an acetylenic compound that is dodecane carrying a triple bond at position 10 and a hydroxy group at position 1 respectively. It has a role as a metabolite. It is a primary alcohol and an acetylenic compound.
Names & identifiers
- Preferred name
- 10-Dodecyn-1-ol
- IUPAC
- dodec-10-yn-1-ol
- English name
- 10-DODECYN-1-OL
- Molecular formula
- C12H22O
- Molecular weight
- 182.3
Names & synonyms
10-Dodecyn-1-oldodec-10-yn-1-ol69221-99-4SCHEMBL2481345SCHEMBL5057508CHEBI:87329DTXSID50334923AKOS006275084Q27159531DodecynolTIMTEC-BB SBB008813
Database identifiers
- CAS
69221-99-4- PubChem CID
- 522341
- DTXSID
DTXSID50334923- ChEBI
CHEBI:87329- Nikkaji
- J917.078B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 18.8 °C · 18.8°C (estimate)
- Boiling point
- 285.73 °C · 285.73°C (rough estimate)
- Density
- 0.853 · 0.8530 (estimate)
- refractive index
- 1.4535 · 1.4535 (estimate)
- pka
- 15.2 · 15.20±0.10(Predicted)
Chemistry & industry
Suppliers5 total
Carbone Scientific CO., LTD[email protected]
TIMTEC-BB[email protected]
3B Scientific Corporation[email protected]
OCEAN TRADING CORPORATION[email protected]
Additional notes
DefinitionChEBI: Dodec-10-yn-1-ol is an acetylenic compound that is dodecane carrying a triple bond at position 10 and a hydroxy group at position 1 respectively. It has a role as a metabolite. It is an acetylenic compound and a primary alcohol.
Related reactions
1 records
Compound notes
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