Basic information
- CAS
104956-78-7- Standard SMILES
CCCCCCCCCCCCCC(C)c1cc(O)c(C(C)CCCCCCCCCCCCC)cc1O- InChIKey
GIBYIOGCDBACAP-UHFFFAOYSA-N- Molecular formula
- C36H66O2
- Average molar mass
- 530.9 g/mol
- Monoisotopic mass
- 530.50628134
Names & identifiers
- Preferred name
- 2,5-Di(pentadecan-2-yl)benzene-1,4-diol
- IUPAC
- 2,5-di(pentadecan-2-yl)benzene-1,4-diol
Names & synonyms
2,5-Di(pentadecan-2-yl)benzene-1,4-diol104956-78-7SCHEMBL8022847DTXSID10597931
Database identifiers
- CAS
104956-78-7- PubChem CID
- 19086636
- DTXSID
DTXSID10597931
Properties
Computed structural properties
- XLogP
- 16.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 26
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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