2-(1,1-diphenylbut-3-enyl)oxirane

C18H18O — CID 11368714

IUPAC2-(1,1-diphenylbut-3-enyl)oxirane
SMILESC=CCC(c1ccccc1)(c1ccccc1)C1CO1
InChIInChI=1S/C18H18O/c1-2-13-18(17-14-19-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,17H,1,13-14H2
InChIKeyVHNHWCVMIZTSLY-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.95
Rot. Bonds5

About 2-(1,1-diphenylbut-3-enyl)oxirane

2-(1,1-diphenylbut-3-enyl)oxirane (PubChem CID 11368714) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(1,1-diphenylbut-3-enyl)oxirane.

Molecular Properties

Compound Name2-(1,1-diphenylbut-3-enyl)oxirane
PubChem CID11368714
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name2-(1,1-diphenylbut-3-enyl)oxirane
SMILESC=CCC(c1ccccc1)(c1ccccc1)C1CO1
InChIInChI=1S/C18H18O/c1-2-13-18(17-14-19-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,17H,1,13-14H2
InChIKeyVHNHWCVMIZTSLY-UHFFFAOYSA-N
XLogP3.95
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-diphenylbut-3-enyl)oxirane?
The IUPAC name of 2-(1,1-diphenylbut-3-enyl)oxirane (CID 11368714) is 2-(1,1-diphenylbut-3-enyl)oxirane.
What is the SMILES notation for 2-(1,1-diphenylbut-3-enyl)oxirane?
The canonical SMILES for 2-(1,1-diphenylbut-3-enyl)oxirane is C=CCC(c1ccccc1)(c1ccccc1)C1CO1.
What is the InChIKey of 2-(1,1-diphenylbut-3-enyl)oxirane?
The InChIKey is VHNHWCVMIZTSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-2-13-18(17-14-19-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,17H,1,13-14H2.
What are the key properties of 2-(1,1-diphenylbut-3-enyl)oxirane?
2-(1,1-diphenylbut-3-enyl)oxirane has a molecular weight of 250.34 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-diphenylbut-3-enyl)oxirane is sourced from PubChem (CID 11368714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).