Basic information
- CAS
10580-24-2- Standard SMILES
CCCCCCCCCCC(=O)OCCCC- InChIKey
LZOLAOIYCPZECA-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Names & identifiers
- Preferred name
- Butyl undecanoate
- IUPAC
- butyl undecanoate
- English name
- Undecanoic acid butyl ester
- Molecular formula
- C15H30O2
- Molecular weight
- 242.4
Names & synonyms
Butyl undecanoateUndecanoic acid butyl ester10580-24-2UNDECANOIC ACID, BUTYL ESTERn-butyl undecanoateButyl undecanoate #n-Butyl n-undecanoateundecansaure-butylesterSCHEMBL2397227SCHEMBL8453125DTXSID00147348
Database identifiers
- CAS
10580-24-2- PubChem CID
- 25404
- DTXSID
DTXSID00147348- Nikkaji
- J115.162B
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 166
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 290.3 · 290.3±8.0 °C(Predicted)
- Density
- 0.866 · 0.866±0.06 g/cm3(Predicted)
Related reactions
1 records
Compound notes
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