Basic information
- Standard SMILES
ClC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1- InChIKey
PCQHHGZMQLZGQM-UHFFFAOYSA-N- Molecular formula
- C34H35ClO5
- Average molar mass
- 559.1 g/mol
- Monoisotopic mass
- 558.2173019
Names & identifiers
- Preferred name
- 2-Chloro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
- IUPAC
- 2-chloro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
Names & synonyms
SCHEMBL14422836
Database identifiers
- PubChem CID
- 4207231
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 669
Related reactions
3 records
Compound notes
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