Basic information
- CAS
7011-82-7- Standard SMILES
CCCCCCC(=O)CCC(=O)OC- InChIKey
BQQYSKZUTZNJCF-UHFFFAOYSA-N- Molecular formula
- C11H20O3
- Average molar mass
- 200.27 g/mol
- Monoisotopic mass
- 200.1412445
Names & identifiers
- Preferred name
- Methyl 4-oxodecanoate
- IUPAC
- methyl 4-oxodecanoate
- English name
- 4-Oxodecanoic acid methyl ester
- Molecular formula
- C11H20O3
- Molecular weight
- 200.27
Names & synonyms
Methyl 4-oxodecanoate7011-82-7DTXSID00337101RefChem:355821DTXCID00288189BQQYSKZUTZNJCF-UHFFFAOYSA-N4-oxo-decanoic acid methyl esterMethyl4-oxodecanoateSCHEMBL2139723AKOS0109096414-Ketocapric acid methyl ester4-Oxodecanoic acid methyl ester
Show more names
Decanoic acid, 4-oxo-, methyl ester
Database identifiers
- CAS
7011-82-7- PubChem CID
- 538627
- DTXSID
DTXSID00337101- Nikkaji
- J132.456J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 104 · 104-105 °C(Press: 1.2 Torr)
- Density
- 0.95 · 0.950±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Related reactions
2 records
Compound notes
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