2-(6,6-Dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2-(4-chlorophenoxy)acetate
Basic information
- CAS
6293-89-6- Standard SMILES
CC1(C)C2CC=C(CCOC(=O)COc3ccc(Cl)cc3)C1C2- InChIKey
WYSOPGDEDXCBKC-UHFFFAOYSA-N- Molecular formula
- C19H23ClO3
- Average molar mass
- 334.8 g/mol
- Monoisotopic mass
- 334.1335723
Names & identifiers
- Preferred name
- 2-(6,6-Dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2-(4-chlorophenoxy)acetate
- IUPAC
- 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2-(4-chlorophenoxy)acetate
Names & synonyms
6293-89-6NSC9192DTXSID00978750NSC-91922-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl (4-chlorophenoxy)acetate
Database identifiers
- CAS
6293-89-6- PubChem CID
- 222633
- DTXSID
DTXSID00978750
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 463
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Compound notes
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