Basic information
- CAS
54889-72-4- Standard SMILES
CCCCCCCCCCCCC(=O)CC(=O)OC- InChIKey
CFDZNJRIILJIAU-UHFFFAOYSA-N- Molecular formula
- C16H30O3
- Average molar mass
- 270.41 g/mol
- Monoisotopic mass
- 270.21949481
Names & identifiers
- Preferred name
- Methyl 3-oxopentadecanoate
- IUPAC
- methyl 3-oxopentadecanoate
- English name
- 3-Oxopentadecanoic acid methyl ester
- Molecular formula
- C16H30O3
- Molecular weight
- 270.41
Names & synonyms
Methyl 3-oxopentadecanoate54889-72-4Pentadecanoic acid, 3-oxo-, methyl esterDTXSID80341781RefChem:355162DTXCID40292861CFDZNJRIILJIAU-UHFFFAOYSA-N3-Oxopentadecanoic acid methyl esterMethyl 3-oxopentadecanoate #SCHEMBL6138959DB-324614
Database identifiers
- CAS
54889-72-4- PubChem CID
- 575671
- DTXSID
DTXSID80341781- Nikkaji
- J112.463C
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 236
Chemistry & industry
Suppliers1 total
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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