Basic information
- CAS
142050-18-8- Standard SMILES
CCCCCCCCCCOc1cc(C(=O)O)cc(OCCCCCCCCCC)c1OCCCCCCCCCC- InChIKey
AKSBDBNMHPWNFY-UHFFFAOYSA-N- Molecular formula
- C37H66O5
- Average molar mass
- 590.9 g/mol
- Monoisotopic mass
- 590.4910252
Names & identifiers
- Preferred name
- 3,4,5-Tris(decyloxy)benzoic acid
- IUPAC
- 3,4,5-tris-decoxybenzoic acid
Names & synonyms
3,4,5-tris(decyloxy)benzoic acid142050-18-8SCHEMBL1201538DTXSID10514143
Database identifiers
- CAS
142050-18-8- PubChem CID
- 12964993
- DTXSID
DTXSID10514143- Nikkaji
- J1.177.096G
Properties
Computed structural properties
- XLogP
- 14.9
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 31
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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