Basic information
- CAS
108511-83-7- Standard SMILES
CC12CCC(OC(=O)c3ccccc3)C(C)(C)C13CCC(C2)OO3- InChIKey
ZGEZBEGUEKLVRK-UHFFFAOYSA-N- Molecular formula
- C20H26O4
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.18310931
Names & identifiers
- Preferred name
- 2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalin
- IUPAC
- (2,2,6-trimethyl-9,10-dioxatricyclo[6.2.2.01,6]dodecan-3-yl) benzoate
Names & synonyms
2-Benzoyloxy-1,1,10-trimethyl-6,9-epidioxydecalinCHEMBL285163ZGEZBEGUEKLVRK-UHFFFAOYSA-NDTXSID901367284108511-83-7
Database identifiers
- CAS
108511-83-7- PubChem CID
- 569871
- DTXSID
DTXSID901367284- ChEMBL
CHEMBL285163
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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