[(E)-pent-1-enyl]benzene

C11H14 — CID 5370618

IUPAC[(E)-pent-1-enyl]benzene
SMILESCCC/C=C/c1ccccc1
InChIInChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h4-10H,2-3H2,1H3/b8-5+
InChIKeyKHMYONNPZWOTKW-VMPITWQZSA-N
MW146.23 g/mol
LogP3.50
Rot. Bonds3

About [(E)-pent-1-enyl]benzene

[(E)-pent-1-enyl]benzene (PubChem CID 5370618) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is [(E)-pent-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-pent-1-enyl]benzene
PubChem CID5370618
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name[(E)-pent-1-enyl]benzene
SMILESCCC/C=C/c1ccccc1
InChIInChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h4-10H,2-3H2,1H3/b8-5+
InChIKeyKHMYONNPZWOTKW-VMPITWQZSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(E)-pent-1-enyl]benzene?
The IUPAC name of [(E)-pent-1-enyl]benzene (CID 5370618) is [(E)-pent-1-enyl]benzene.
What is the SMILES notation for [(E)-pent-1-enyl]benzene?
The canonical SMILES for [(E)-pent-1-enyl]benzene is CCC/C=C/c1ccccc1.
What is the InChIKey of [(E)-pent-1-enyl]benzene?
The InChIKey is KHMYONNPZWOTKW-VMPITWQZSA-N. The full InChI is InChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h4-10H,2-3H2,1H3/b8-5+.
What are the key properties of [(E)-pent-1-enyl]benzene?
[(E)-pent-1-enyl]benzene has a molecular weight of 146.23 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-1-enyl]benzene is sourced from PubChem (CID 5370618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).