Basic information
- CAS
122629-53-2- Standard SMILES
CCCCCC(O)CCCC1CCCC(=O)O1- InChIKey
ZRHKNPWKUIWHMC-UHFFFAOYSA-N- Molecular formula
- C14H26O3
- Average molar mass
- 242.35 g/mol
- Monoisotopic mass
- 242.18819469
Overview
structure given in first source; isolated from Pseudomonas dimuta & Pseudomonas vesicularis
Names & identifiers
- Preferred name
- 9-Hydroxy-gamma-tetradecalactone
- IUPAC
- 6-(4-hydroxynonyl)oxan-2-one
- English name
- 9-hydroxy-gamma-tetradecalactone
- Molecular formula
- C14H26O3
- Molecular weight
- 242.35
Names & synonyms
9-Hgtdl9-Hydroxy-gamma-tetradecalactone122629-53-2RefChem:1079486-(4-hydroxynonyl)oxan-2-oneSCHEMBL30689541DTXSID709242242H-Pyran-2-one, tetrahydro-6-(4-hydroxynonyl)-
Database identifiers
- CAS
122629-53-2- PubChem CID
- 129758
- DTXSID
DTXSID70924224
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 389.493 · 389.493±15.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.989 · 0.989±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.339 · 15.339±0.20(predicted)
- LogP
- 2.444 · 2.444 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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