[1-(1,3-Benzodioxol-5-yl)-2,2-dimethylpropyl] 2-phenylacetate
Basic information
- CAS
7381-35-3- Standard SMILES
CC(C)(C)C(OC(=O)Cc1ccccc1)c1ccc2c(c1)OCO2- InChIKey
VCBDMHXCXZSWNR-UHFFFAOYSA-N- Molecular formula
- C20H22O4
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.15180918
Names & identifiers
- Preferred name
- [1-(1,3-Benzodioxol-5-yl)-2,2-dimethylpropyl] 2-phenylacetate
- IUPAC
- [1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl] 2-phenylacetate
Names & synonyms
7381-35-3NSC404605[1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl] 2-phenylacetateDTXSID70323657NSC-4046051-(2H-1,3-Benzodioxol-5-yl)-2,2-dimethylpropyl phenylacetate
Database identifiers
- CAS
7381-35-3- PubChem CID
- 346376
- DTXSID
DTXSID70323657
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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