Basic information
- CAS
54531-01-0- Standard SMILES
CCCCCCCCCCCC(=O)OCc1cc2c(cc1CCC)OCO2- InChIKey
VEAUXADIACPWHQ-UHFFFAOYSA-N- Molecular formula
- C23H36O4
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.26135963
Names & identifiers
- Preferred name
- (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate
- IUPAC
- (6-propyl-1,3-benzodioxol-5-yl)methyl dodecanoate
Names & synonyms
54531-01-0NSC405664(6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoateDTXSID00324076NSC-405664
Database identifiers
- CAS
54531-01-0- PubChem CID
- 347155
- DTXSID
DTXSID00324076
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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