Basic information
- CAS
7105-59-1- Standard SMILES
C=C(C)C(CCC(C)=O)CC(=O)OC- InChIKey
FUZLHFFMWSBYMH-UHFFFAOYSA-N- Molecular formula
- C11H18O3
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.12559443
Names & identifiers
- Preferred name
- Methyl 6-oxo-3-(prop-1-en-2-yl)heptanoate
- IUPAC
- methyl 6-oxo-3-prop-1-en-2-ylheptanoate
Names & synonyms
7105-59-1methyl 6-oxo-3-(prop-1-en-2-yl)heptanoateNSC96765DTXSID20294464NSC-96765
Database identifiers
- CAS
7105-59-1- PubChem CID
- 262811
- DTXSID
DTXSID20294464
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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