Ethyl 2,2,4-trimethyl-3-oxopentanoate
Basic information
- CAS
4447-64-7- Standard SMILES
CCOC(=O)C(C)(C)C(=O)C(C)C- InChIKey
IINVHMMMAUHNDG-UHFFFAOYSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.12559443
Names & identifiers
- Preferred name
- Ethyl 2,2,4-trimethyl-3-oxopentanoate
- IUPAC
- ethyl 2,2,4-trimethyl-3-oxopentanoate
- English name
- ethyl 2,2,4-trimethyl-3-oxo-pentanoate
- Molecular formula
- C10H18O3
- Molecular weight
- 186.24812
Names & synonyms
ethyl 2,2,4-trimethyl-3-oxopentanoate4447-64-7DTXSID00278489RefChem:342139DTXCID90229647Pentanoic acid, 2,2,4-trimethyl-3-oxo-, ethyl esterNSC7730ethyl 2,2,4-trimethyl-3-oxo-pentanoateZJU58EP3D8Bempedoic Acid Impurity C71SCHEMBL15114063NSC-7730
Show more names
Bepidic acid impurity 4Beppedic acid impurity 1
Ethyl 2,2,4-trimethyl-3-oxovalerate2,2,4-Trimethyl-3-oxovaleric acid, ethyl ester
Database identifiers
- CAS
4447-64-7- PubChem CID
- 222200
- DTXSID
DTXSID00278489- UNII
- ZJU58EP3D8
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…