Basic information
- CAS
651332-02-4- Standard SMILES
COCCC=C(C)CCC(Cl)c1ccccc1- InChIKey
KIYBZJRFPGIVTA-UHFFFAOYSA-N- Molecular formula
- C15H21ClO
- Average molar mass
- 252.78 g/mol
- Monoisotopic mass
- 252.128093
Names & identifiers
- Preferred name
- (1-Chloro-7-methoxy-4-methylhept-4-EN-1-YL)benzene
- IUPAC
- (1-chloro-7-methoxy-4-methylhept-4-enyl)benzene
Names & synonyms
651332-02-4(1-CHLORO-7-METHOXY-4-METHYLHEPT-4-EN-1-YL)BENZENEDTXSID20799500
Database identifiers
- CAS
651332-02-4- PubChem CID
- 71376830
- DTXSID
DTXSID20799500
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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