Basic information
- CAS
594815-62-0- Standard SMILES
CCCCCCCCCCCCOc1cc(OCCCCCCCCCCCC)cc(C(=O)OCCOCCO)c1- InChIKey
LTELGULBUGEWOL-UHFFFAOYSA-N- Molecular formula
- C35H62O6
- Average molar mass
- 578.9 g/mol
- Monoisotopic mass
- 578.45463969
Names & identifiers
- Preferred name
- 2-(2-Hydroxyethoxy)ethyl 3,5-bis(dodecyloxy)benzoate
- IUPAC
- 2-(2-hydroxyethoxy)ethyl 3,5-didodecoxybenzoate
Names & synonyms
594815-62-02-(2-HYDROXYETHOXY)ETHYL 3,5-BIS(DODECYLOXY)BENZOATEDTXSID20787144
Database identifiers
- CAS
594815-62-0- PubChem CID
- 71363629
- DTXSID
DTXSID20787144- Nikkaji
- J1.780.409J
Properties
Computed structural properties
- XLogP
- 12.1
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 31
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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