(3Z)-3-benzylidene-4-ethenyloxolane

C13H14O — CID 11367443

IUPAC(3Z)-3-benzylidene-4-ethenyloxolane
SMILESC=CC1COC/C1=C\c1ccccc1
InChIInChI=1S/C13H14O/c1-2-12-9-14-10-13(12)8-11-6-4-3-5-7-11/h2-8,12H,1,9-10H2/b13-8+
InChIKeyOAYNRSVIVNXAMS-MDWZMJQESA-N
MW186.25 g/mol
LogP2.90
Rot. Bonds2

About (3Z)-3-benzylidene-4-ethenyloxolane

(3Z)-3-benzylidene-4-ethenyloxolane (PubChem CID 11367443) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (3Z)-3-benzylidene-4-ethenyloxolane.

Molecular Properties

Compound Name(3Z)-3-benzylidene-4-ethenyloxolane
PubChem CID11367443
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(3Z)-3-benzylidene-4-ethenyloxolane
SMILESC=CC1COC/C1=C\c1ccccc1
InChIInChI=1S/C13H14O/c1-2-12-9-14-10-13(12)8-11-6-4-3-5-7-11/h2-8,12H,1,9-10H2/b13-8+
InChIKeyOAYNRSVIVNXAMS-MDWZMJQESA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.90
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 (3Z)-3-benzylidene-4-ethenyloxolane?
The IUPAC name of (3Z)-3-benzylidene-4-ethenyloxolane (CID 11367443) is (3Z)-3-benzylidene-4-ethenyloxolane.
What is the SMILES notation for (3Z)-3-benzylidene-4-ethenyloxolane?
The canonical SMILES for (3Z)-3-benzylidene-4-ethenyloxolane is C=CC1COC/C1=C\c1ccccc1.
What is the InChIKey of (3Z)-3-benzylidene-4-ethenyloxolane?
The InChIKey is OAYNRSVIVNXAMS-MDWZMJQESA-N. The full InChI is InChI=1S/C13H14O/c1-2-12-9-14-10-13(12)8-11-6-4-3-5-7-11/h2-8,12H,1,9-10H2/b13-8+.
What are the key properties of (3Z)-3-benzylidene-4-ethenyloxolane?
(3Z)-3-benzylidene-4-ethenyloxolane has a molecular weight of 186.25 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-4-ethenyloxolane is sourced from PubChem (CID 11367443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).