Basic information
- Standard SMILES
CCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCCCCC- InChIKey
ROQBTDDWZDXINW-UHFFFAOYSA-N- Molecular formula
- C44H66O3
- Average molar mass
- 643 g/mol
- Monoisotopic mass
- 642.50119596
Names & identifiers
- Preferred name
- 3-Dodecyloxy-2-decyloxy-1-triphenylmethoxypropane
- IUPAC
- [(2-decoxy-3-dodecoxypropoxy)-diphenylmethyl]benzene
Names & synonyms
SCHEMBL497520ROQBTDDWZDXINW-UHFFFAOYSA-N3-dodecyloxy-2-decyloxy-1 -triphenylmethoxypropane3-Dodecyloxy-2-decyloxy-1-triphenylmethoxypropane
Database identifiers
- PubChem CID
- 21873196
Properties
Computed structural properties
- XLogP
- 14.6
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 29
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 630
Related reactions
12 records
Compound notes
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