5-but-3-enyl-3,3-diphenyloxolan-2-one

C20H20O2 — CID 12791584

IUPAC5-but-3-enyl-3,3-diphenyloxolan-2-one
SMILESC=CCCC1CC(c2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C20H20O2/c1-2-3-14-18-15-20(19(21)22-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h2,4-13,18H,1,3,14-15H2
InChIKeyPWWANJMBTQRPIQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.25
Rot. Bonds5

About 5-but-3-enyl-3,3-diphenyloxolan-2-one

5-but-3-enyl-3,3-diphenyloxolan-2-one (PubChem CID 12791584) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-but-3-enyl-3,3-diphenyloxolan-2-one.

Molecular Properties

Compound Name5-but-3-enyl-3,3-diphenyloxolan-2-one
PubChem CID12791584
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name5-but-3-enyl-3,3-diphenyloxolan-2-one
SMILESC=CCCC1CC(c2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C20H20O2/c1-2-3-14-18-15-20(19(21)22-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h2,4-13,18H,1,3,14-15H2
InChIKeyPWWANJMBTQRPIQ-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-3,3-diphenyloxolan-2-one?
The IUPAC name of 5-but-3-enyl-3,3-diphenyloxolan-2-one (CID 12791584) is 5-but-3-enyl-3,3-diphenyloxolan-2-one.
What is the SMILES notation for 5-but-3-enyl-3,3-diphenyloxolan-2-one?
The canonical SMILES for 5-but-3-enyl-3,3-diphenyloxolan-2-one is C=CCCC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.
What is the InChIKey of 5-but-3-enyl-3,3-diphenyloxolan-2-one?
The InChIKey is PWWANJMBTQRPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-2-3-14-18-15-20(19(21)22-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h2,4-13,18H,1,3,14-15H2.
What are the key properties of 5-but-3-enyl-3,3-diphenyloxolan-2-one?
5-but-3-enyl-3,3-diphenyloxolan-2-one has a molecular weight of 292.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-3,3-diphenyloxolan-2-one is sourced from PubChem (CID 12791584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).