(4E)-3-ethenyl-4-(1-phenylethylidene)oxolane

C14H16O — CID 11481078

IUPAC(4E)-3-ethenyl-4-(1-phenylethylidene)oxolane
SMILESC=CC1COC/C1=C(\C)c1ccccc1
InChIInChI=1S/C14H16O/c1-3-12-9-15-10-14(12)11(2)13-7-5-4-6-8-13/h3-8,12H,1,9-10H2,2H3/b14-11-
InChIKeyXLEWJQHNPVFZTF-KAMYIIQDSA-N
MW200.28 g/mol
LogP3.29
Rot. Bonds2

About (4E)-3-ethenyl-4-(1-phenylethylidene)oxolane

(4E)-3-ethenyl-4-(1-phenylethylidene)oxolane (PubChem CID 11481078) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (4E)-3-ethenyl-4-(1-phenylethylidene)oxolane.

Molecular Properties

Compound Name(4E)-3-ethenyl-4-(1-phenylethylidene)oxolane
PubChem CID11481078
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(4E)-3-ethenyl-4-(1-phenylethylidene)oxolane
SMILESC=CC1COC/C1=C(\C)c1ccccc1
InChIInChI=1S/C14H16O/c1-3-12-9-15-10-14(12)11(2)13-7-5-4-6-8-13/h3-8,12H,1,9-10H2,2H3/b14-11-
InChIKeyXLEWJQHNPVFZTF-KAMYIIQDSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (4E)-3-ethenyl-4-(1-phenylethylidene)oxolane?
The IUPAC name of (4E)-3-ethenyl-4-(1-phenylethylidene)oxolane (CID 11481078) is (4E)-3-ethenyl-4-(1-phenylethylidene)oxolane.
What is the SMILES notation for (4E)-3-ethenyl-4-(1-phenylethylidene)oxolane?
The canonical SMILES for (4E)-3-ethenyl-4-(1-phenylethylidene)oxolane is C=CC1COC/C1=C(\C)c1ccccc1.
What is the InChIKey of (4E)-3-ethenyl-4-(1-phenylethylidene)oxolane?
The InChIKey is XLEWJQHNPVFZTF-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H16O/c1-3-12-9-15-10-14(12)11(2)13-7-5-4-6-8-13/h3-8,12H,1,9-10H2,2H3/b14-11-.
What are the key properties of (4E)-3-ethenyl-4-(1-phenylethylidene)oxolane?
(4E)-3-ethenyl-4-(1-phenylethylidene)oxolane has a molecular weight of 200.28 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-ethenyl-4-(1-phenylethylidene)oxolane is sourced from PubChem (CID 11481078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).