5-benzyl-3-[cyclopropyl(phenyl)methyl]-5-propyloxolane-2,4-dione

C24H26O3 — CID 54331115

IUPAC5-benzyl-3-[cyclopropyl(phenyl)methyl]-5-propyloxolane-2,4-dione
SMILESCCCC1(Cc2ccccc2)OC(=O)C(C(c2ccccc2)C2CC2)C1=O
InChIInChI=1S/C24H26O3/c1-2-15-24(16-17-9-5-3-6-10-17)22(25)21(23(26)27-24)20(19-13-14-19)18-11-7-4-8-12-18/h3-12,19-21H,2,13-16H2,1H3
InChIKeySYKMEPHRQUWWTI-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.70
Rot. Bonds7

About 5-benzyl-3-[cyclopropyl(phenyl)methyl]-5-propyloxolane-2,4-dione

5-benzyl-3-[cyclopropyl(phenyl)methyl]-5-propyloxolane-2,4-dione (PubChem CID 54331115) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-benzyl-3-[cyclopropyl(phenyl)methyl]-5-propyloxolane-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3-[cyclopropyl(phenyl)methyl]-5-propyloxolane-2,4-dione
PubChem CID54331115
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name5-benzyl-3-[cyclopropyl(phenyl)methyl]-5-propyloxolane-2,4-dione
SMILESCCCC1(Cc2ccccc2)OC(=O)C(C(c2ccccc2)C2CC2)C1=O
InChIInChI=1S/C24H26O3/c1-2-15-24(16-17-9-5-3-6-10-17)22(25)21(23(26)27-24)20(19-13-14-19)18-11-7-4-8-12-18/h3-12,19-21H,2,13-16H2,1H3
InChIKeySYKMEPHRQUWWTI-UHFFFAOYSA-N
XLogP4.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[cyclopropyl(phenyl)methyl]-5-propyloxolane-2,4-dione?
The IUPAC name of 5-benzyl-3-[cyclopropyl(phenyl)methyl]-5-propyloxolane-2,4-dione (CID 54331115) is 5-benzyl-3-[cyclopropyl(phenyl)methyl]-5-propyloxolane-2,4-dione.
What is the SMILES notation for 5-benzyl-3-[cyclopropyl(phenyl)methyl]-5-propyloxolane-2,4-dione?
The canonical SMILES for 5-benzyl-3-[cyclopropyl(phenyl)methyl]-5-propyloxolane-2,4-dione is CCCC1(Cc2ccccc2)OC(=O)C(C(c2ccccc2)C2CC2)C1=O.
What is the InChIKey of 5-benzyl-3-[cyclopropyl(phenyl)methyl]-5-propyloxolane-2,4-dione?
The InChIKey is SYKMEPHRQUWWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-2-15-24(16-17-9-5-3-6-10-17)22(25)21(23(26)27-24)20(19-13-14-19)18-11-7-4-8-12-18/h3-12,19-21H,2,13-16H2,1H3.
What are the key properties of 5-benzyl-3-[cyclopropyl(phenyl)methyl]-5-propyloxolane-2,4-dione?
5-benzyl-3-[cyclopropyl(phenyl)methyl]-5-propyloxolane-2,4-dione has a molecular weight of 362.47 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[cyclopropyl(phenyl)methyl]-5-propyloxolane-2,4-dione is sourced from PubChem (CID 54331115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).