[(E)-3-ethenoxyprop-1-enyl]benzene

C11H12O — CID 10855767

IUPAC[(E)-3-ethenoxyprop-1-enyl]benzene
SMILESC=COC/C=C/c1ccccc1
InChIInChI=1S/C11H12O/c1-2-12-10-6-9-11-7-4-3-5-8-11/h2-9H,1,10H2/b9-6+
InChIKeyBRNKJOZWDVEPAQ-RMKNXTFCSA-N
MW160.22 g/mol
LogP2.86
Rot. Bonds4

About [(E)-3-ethenoxyprop-1-enyl]benzene

[(E)-3-ethenoxyprop-1-enyl]benzene (PubChem CID 10855767) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is [(E)-3-ethenoxyprop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-ethenoxyprop-1-enyl]benzene
PubChem CID10855767
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name[(E)-3-ethenoxyprop-1-enyl]benzene
SMILESC=COC/C=C/c1ccccc1
InChIInChI=1S/C11H12O/c1-2-12-10-6-9-11-7-4-3-5-8-11/h2-9H,1,10H2/b9-6+
InChIKeyBRNKJOZWDVEPAQ-RMKNXTFCSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-ethenoxyprop-1-enyl]benzene?
The IUPAC name of [(E)-3-ethenoxyprop-1-enyl]benzene (CID 10855767) is [(E)-3-ethenoxyprop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-ethenoxyprop-1-enyl]benzene?
The canonical SMILES for [(E)-3-ethenoxyprop-1-enyl]benzene is C=COC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-ethenoxyprop-1-enyl]benzene?
The InChIKey is BRNKJOZWDVEPAQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H12O/c1-2-12-10-6-9-11-7-4-3-5-8-11/h2-9H,1,10H2/b9-6+.
What are the key properties of [(E)-3-ethenoxyprop-1-enyl]benzene?
[(E)-3-ethenoxyprop-1-enyl]benzene has a molecular weight of 160.22 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-ethenoxyprop-1-enyl]benzene is sourced from PubChem (CID 10855767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).