b5cHBzoEt
Basic information
- Standard SMILES
CCCCCC1CCC(c2ccc(C(=O)OCCOC(=O)c3ccc(C4CCC(CCCCC)CC4)cc3)cc2)CC1- InChIKey
IOKHAYWBBMGYBH-UHFFFAOYSA-N- Molecular formula
- C38H54O4
- Average molar mass
- 574.8 g/mol
- Monoisotopic mass
- 574.4022102
Names & identifiers
- Preferred name
- b5cHBzoEt
- IUPAC
- 2-[4-(4-pentylcyclohexyl)benzoyl]oxyethyl 4-(4-pentylcyclohexyl)benzoate
Names & synonyms
ethane-1,2-diyl bis(4-(4-pentylcyclohexyl)benzoate)ethane-1,2-diyl bis[4-(4-pentylcyclohexyl)benzoate]b5cHBzoEtDTXSID701381244
Database identifiers
- PubChem CID
- 175685179
- DTXSID
DTXSID701381244
Properties
Computed structural properties
- XLogP
- 13.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 683
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Related reactions
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Compound notes
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