Basic information
- CAS
92950-96-4- Standard SMILES
CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OCCC[C@@H](C)CC)cc2)cc1- InChIKey
GOPHHFVBBUJHNY-VWLOTQADSA-N- Molecular formula
- C30H44O4
- Average molar mass
- 468.7 g/mol
- Monoisotopic mass
- 468.32395988
Names & identifiers
- Preferred name
- 4-{[(4S)-4-Methylhexyl]oxy}phenyl 4-(decyloxy)benzoate
- IUPAC
- [4-[(4S)-4-methylhexoxy]phenyl] 4-decoxybenzoate
- English name
- 4-((S)-(+)-(4-Methylhexyl)oxy)phenyl 4-(decyloxy)benzoate
- Molecular formula
- C30H44O4
- Molecular weight
- 468.67
Names & synonyms
92950-96-44-{[(4S)-4-METHYLHEXYL]OXY}PHENYL 4-(DECYLOXY)BENZOATESCHEMBL7778269DTXSID706286544-((S)-(+)-(4-Methylhexyl)oxy)phenyl 4-(decyloxy)benzoateBenzoic acid, 4-(decyloxy)-, 4-[[(4S)-4-methylhexyl]oxy]phenyl ester
Database identifiers
- CAS
92950-96-4- PubChem CID
- 22845280
- DTXSID
DTXSID70628654- Nikkaji
- J1.211.719A
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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