Basic information
- CAS
63883-18-1- Standard SMILES
CC1(C)OCC(COC(=O)Cc2ccc3c(c2)OCc2ccccc2C3=O)O1- InChIKey
MEEAPNCGAKISDY-UHFFFAOYSA-N- Molecular formula
- C22H22O6
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.14163842
Names & identifiers
- Preferred name
- Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-11-oxo-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
- IUPAC
- (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(11-oxo-6H-benzo[c][1]benzoxepin-3-yl)acetate
Names & synonyms
BRN 133022663883-18-12,2-Dimethyl-1,3-dioxolan-4-ylmethyl 6,11-dihydro-11-oxodibenz(b,e)oxepin-3-acetateDibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-11-oxo-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl esterRefChem:337003CHEMBL3251978DTXSID30980669(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl)acetate
Database identifiers
- CAS
63883-18-1- PubChem CID
- 44922
- DTXSID
DTXSID30980669- ChEMBL
CHEMBL3251978
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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