Prop-2-en-1-yl 2,2-diethyl-4-methyl-3-oxopentanoate
Basic information
- CAS
113017-67-7- Standard SMILES
C=CCOC(=O)C(CC)(CC)C(=O)C(C)C- InChIKey
ZKOLWNPRVLQIFR-UHFFFAOYSA-N- Molecular formula
- C13H22O3
- Average molar mass
- 226.31 g/mol
- Monoisotopic mass
- 226.15689456
Names & identifiers
- Preferred name
- Prop-2-en-1-yl 2,2-diethyl-4-methyl-3-oxopentanoate
- IUPAC
- prop-2-enyl 2,2-diethyl-4-methyl-3-oxopentanoate
Names & synonyms
113017-67-7Prop-2-en-1-yl 2,2-diethyl-4-methyl-3-oxopentanoateDTXSID50547051
Database identifiers
- CAS
113017-67-7- PubChem CID
- 13699677
- DTXSID
DTXSID50547051
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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