(5,5,9,11,11-Pentamethyl-3-oxo-1-tricyclo[7.3.1.02,7]tridec-2(7)-enyl) 2-phenylacetate
Basic information
- CAS
42301-67-7- Standard SMILES
CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(OC(=O)Cc2ccccc2)C1- InChIKey
KREFNVCDNHSHTF-UHFFFAOYSA-N- Molecular formula
- C26H34O3
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.25079494
Names & identifiers
- Preferred name
- (5,5,9,11,11-Pentamethyl-3-oxo-1-tricyclo[7.3.1.02,7]tridec-2(7)-enyl) 2-phenylacetate
- IUPAC
- (5,5,9,11,11-pentamethyl-3-oxo-1-tricyclo[7.3.1.02,7]tridec-2(7)-enyl) 2-phenylacetate
Names & synonyms
NSC35897542301-67-7DTXSID80331066NSC-3589752,2,7,7,9-Pentamethyl-4-oxo-2,3,4,6,7,8,9,10-octahydro-5,9-methanobenzo[8]annulen-5(1H)-yl phenylacetate
Database identifiers
- CAS
42301-67-7- PubChem CID
- 434836
- DTXSID
DTXSID80331066
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 737
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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