2,8-Bis(2,4,6-trimethylbenzyl)cyclooctanone

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Basic information

CAS: 52186-13-7
Standard SMILES: COc1ccc(CC2CCCCCC(C(OC)c3ccc(OC)cc3)C2=O)cc1
InChIKey: SBLQXZSCZRUYHX-UHFFFAOYSA-N
Molecular formula: C25H32O4
Average molar mass: 396.5 g/mol
Monoisotopic mass: 396.2300595

Names & identifiers

Preferred name: 2,8-Bis(2,4,6-trimethylbenzyl)cyclooctanone
IUPAC: 2-[methoxy-(4-methoxyphenyl)methyl]-8-[(4-methoxyphenyl)methyl]cyclooctan-1-one

Names & synonyms

52186-13-72,8-Bis(2,4,6-trimethylbenzyl)cyclooctanoneDTXSID809665592-(Methoxy(4-methoxyphenyl)methyl)-8-((4-methoxyphenyl)methyl)cyclooctanone2-[Methoxy(4-methoxyphenyl)methyl]-8-[(4-methoxyphenyl)methyl]cyclooctan-1-oneCyclooctanone, 2-(methoxy(4-methoxyphenyl)methyl)-8-((4-methoxyphenyl)methyl)-

Database identifiers

CAS: 52186-13-7
PubChem CID: 3045383
DTXSID: DTXSID80966559

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 477

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Compound notes

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