Basic information
- CAS
35044-52-1- Standard SMILES
CCOC(=O)C(C(C)=O)=C(C)C- InChIKey
ZTLXZYVSSQOEMA-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.0942943
Names & identifiers
- Preferred name
- Ethyl 2-acetyl-3-methylbut-2-enoate
- IUPAC
- ethyl 2-acetyl-3-methylbut-2-enoate
Names & synonyms
ethyl 2-acetyl-3-methylbut-2-enoate35044-52-12-butenoic acid, 2-acetyl-3-methyl-, ethyl esterDTXSID00349123RefChem:138558DTXCID20300195InChI=1/C9H14O3/c1-5-12-9(11)8(6(2)3)7(4)10/h5H2,1-4HZTLXZYVSSQOEMA-UHFFFAOYSA-NSCHEMBL8323786ethyl alpha-isopropylidene-acetoacetateethyl 2-(1-methyl-ethylidene)-3-oxo-butanoate
Database identifiers
- CAS
35044-52-1- PubChem CID
- 643174
- DTXSID
DTXSID00349123- Nikkaji
- J903.402A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Related reactions
4 records
Compound notes
Loading…