Basic information
- CAS
6093-95-4- Standard SMILES
CCCCCC(=O)CCCC(=O)OC- InChIKey
IMUCAHOFGPVTBF-UHFFFAOYSA-N- Molecular formula
- C11H20O3
- Average molar mass
- 200.27 g/mol
- Monoisotopic mass
- 200.1412445
Names & identifiers
- Preferred name
- Methyl 5-oxodecanoate
- IUPAC
- methyl 5-oxodecanoate
- English name
- methyl 5-oxodecanoate
- Molecular formula
- C11H20O3
- Molecular weight
- 200.27
Names & synonyms
Methyl 5-oxodecanoateBSM9ZQV9NEEINECS 228-040-6Decanoic acid, 5-oxo-, methyl esterDTXSID50209763RefChem:157702DTXCID00132254228-040-66093-95-4UNII-BSM9ZQV9NESCHEMBL5858244IMUCAHOFGPVTBF-UHFFFAOYSA-N
Show more names
5-Ketocapric acid methyl ester5-Oxodecanoic acid methyl ester
NS00034500
Database identifiers
- CAS
6093-95-4- PubChem CID
- 80188
- DTXSID
DTXSID50209763- UNII
- BSM9ZQV9NE
- EC Number
- 228-040-6
- Nikkaji
- J132.461F
Properties
Computed structural properties
- XLogP
- 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
- LogP
- 2.317 · 2.317 (est)
- FDA UNII
- 9 ZQV9NE · BSM9ZQV9NE
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Decanoic acid, 5-oxo-, methyl ester
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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