[(E)-but-2-enyl]benzene

C10H12 — CID 5356732

IUPAC[(E)-but-2-enyl]benzene
SMILESC/C=C/Cc1ccccc1
InChIInChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2-6,8-9H,7H2,1H3/b3-2+
InChIKeyVUKHQPGJNTXTPY-NSCUHMNNSA-N
MW132.21 g/mol
LogP2.81
Rot. Bonds2

About [(E)-but-2-enyl]benzene

[(E)-but-2-enyl]benzene (PubChem CID 5356732) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is [(E)-but-2-enyl]benzene.

Molecular Properties

Compound Name[(E)-but-2-enyl]benzene
PubChem CID5356732
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name[(E)-but-2-enyl]benzene
SMILESC/C=C/Cc1ccccc1
InChIInChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2-6,8-9H,7H2,1H3/b3-2+
InChIKeyVUKHQPGJNTXTPY-NSCUHMNNSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [(E)-but-2-enyl]benzene?
The IUPAC name of [(E)-but-2-enyl]benzene (CID 5356732) is [(E)-but-2-enyl]benzene.
What is the SMILES notation for [(E)-but-2-enyl]benzene?
The canonical SMILES for [(E)-but-2-enyl]benzene is C/C=C/Cc1ccccc1.
What is the InChIKey of [(E)-but-2-enyl]benzene?
The InChIKey is VUKHQPGJNTXTPY-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2-6,8-9H,7H2,1H3/b3-2+.
What are the key properties of [(E)-but-2-enyl]benzene?
[(E)-but-2-enyl]benzene has a molecular weight of 132.21 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl]benzene is sourced from PubChem (CID 5356732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).