Basic information
- CAS
5458-63-9- Standard SMILES
C=CCOC(=O)C1C(C=C(C)C)C1(C)C- InChIKey
HWLGQBWMTVDBMJ-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- Prop-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
- IUPAC
- prop-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Names & synonyms
5458-63-9prop-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylateNSC23743SCHEMBL299513DTXSID30281986NSC-23743PROP-2-EN-1-YL 2,2-DIMETHYL-3-(2-METHYLPROP-1-EN-1-YL)CYCLOPROPANE-1-CARBOXYLATE
Database identifiers
- CAS
5458-63-9- PubChem CID
- 229786
- DTXSID
DTXSID30281986
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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