3-Benzyl-6-cyclopentyl-6-[2-(4-methoxyphenyl)ethyl]tetrahydropyran-2,4-dione

HCID 16728849

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(CCC2(C3CCCC3)CC(=O)C(Cc3ccccc3)C(=O)O2)cc1
InChIKey: WIRYFDOQEAJUHY-UHFFFAOYSA-N
Molecular formula: C26H30O4
Average molar mass: 406.5 g/mol

Names & identifiers

Preferred name: 3-Benzyl-6-cyclopentyl-6-[2-(4-methoxyphenyl)ethyl]tetrahydropyran-2,4-dione
IUPAC: 3-benzyl-6-cyclopentyl-6-[2-(4-methoxyphenyl)ethyl]oxane-2,4-dione

Names & synonyms

SCHEMBL3985392WIRYFDOQEAJUHY-UHFFFAOYSA-N3-benzyl-6-cyclopentyl-6-[2-(4-methoxyphenyl)ethyl]dihydro-2H-pyran-2,4(3H)-dione3-benzyl-6-cyclopentyl-6-[2-(4-methoxyphenyl)ethyl]tetrahydropyran-2,4-dione2H-Pyran-2,4(3H)-dione, 6-cyclopentyldihydro-6-[2-(4-methoxyphenyl)ethyl]-3-(phenylmethyl)-

Database identifiers

PubChem CID: 16728849

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 582

Related reactions

4 records

New reaction record

HRID 799792As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 858760As productuspto-grants-2006_12

HRID 933317As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1453214As productuspto-grants-2009_01

Compound notes

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