Basic information
- CAS
76835-64-8- Standard SMILES
CCCCCCCCCC(=O)CC(=O)OC- InChIKey
FHTQHJAYSZFNSI-UHFFFAOYSA-N- Molecular formula
- C13H24O3
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.17254463
Names & identifiers
- Preferred name
- Methyl 3-oxododecanoate
- IUPAC
- methyl 3-oxododecanoate
- English name
- methyl 3-oxododecanoate
- Molecular formula
- C13H24O3
- Molecular weight
- 228.33
Names & synonyms
Methyl 3-oxododecanoate76835-64-8EINECS 278-561-8DTXSID40998154RefChem:157524DTXCID701425149278-561-8Dodecanoic acid,3-oxo-, methyl esterMFCD000860873-oxododecanoic acid methyl esterMethyl Dodecanon-3-oate; Methyl ss-Oxododecanoate; 3-?Oxo-?dodecanoic Acid Methyl EsterDodecanoic acid, 3-oxo-, methyl ester
Show more names
FHTQHJAYSZFNSI-UHFFFAOYSA-N3-Oxolauric acid methyl ester3-Ketolauric acid methyl ester
SCHEMBL1123527methyl 3-oxidanylidenedodecanoateAKOS028111684BS-48314NS00058645E84274F852176
Database identifiers
- CAS
76835-64-8- PubChem CID
- 3018684
- DTXSID
DTXSID40998154- EC Number
- 278-561-8
- Nikkaji
- J206.342E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Clear Colorless
- LogP
- 4.44 · 4.440 (est)
Chemistry & industry
Applications
UsesMethyl 3-Oxododecanoate is a useful synthetic intermediate. It is used in the tethered Biginelli reaction for enantioselective synthesis of batzelladine alkaloid.
Upstream & downstream products
Downstream products
Suppliers19 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
Related reactions
1 records
Compound notes
Loading…