[(E)-5-iodopent-1-enyl]benzene

C11H13I — CID 87330563

IUPAC[(E)-5-iodopent-1-enyl]benzene
SMILESICCC/C=C/c1ccccc1
InChIInChI=1S/C11H13I/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-5,7-9H,2,6,10H2/b9-5+
InChIKeyAFWOTRIOOOBRJJ-WEVVVXLNSA-N
MW272.13 g/mol
LogP3.91
Rot. Bonds4

About [(E)-5-iodopent-1-enyl]benzene

[(E)-5-iodopent-1-enyl]benzene (PubChem CID 87330563) has the molecular formula C11H13I and a molecular weight of 272.13 g/mol. Its IUPAC name is [(E)-5-iodopent-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-5-iodopent-1-enyl]benzene
PubChem CID87330563
Molecular FormulaC11H13I
Molecular Weight272.13 g/mol
Exact Mass272.01
IUPAC Name[(E)-5-iodopent-1-enyl]benzene
SMILESICCC/C=C/c1ccccc1
InChIInChI=1S/C11H13I/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-5,7-9H,2,6,10H2/b9-5+
InChIKeyAFWOTRIOOOBRJJ-WEVVVXLNSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[(E)-5-bromopent-1-enyl]benzene
CID 10977131
[(E)-6-bromohex-1-enyl]benzene
CID 11172477
(E)-5-phenylpent-4-enal
CID 11105652
[(E)-octadec-1-enyl]benzene
CID 22722345
(E)-9-phenylnon-8-en-1-ol
CID 10489025
5-phenoxypent-1-enylbenzene
CID 173201484
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
hex-1-en-5-ynylbenzene
CID 54176357
hex-1-enylbenzene;prop-1-ene
CID 157442084
6-phenylhex-5-enoxysilane
CID 123359434
5-ethoxypent-1-enylbenzene
CID 54285670
(NE)-N-[(Z)-6-phenylhex-5-enylidene]hydroxylamine
CID 177427914

Frequently Asked Questions

What is the IUPAC name of [(E)-5-iodopent-1-enyl]benzene?
The IUPAC name of [(E)-5-iodopent-1-enyl]benzene (CID 87330563) is [(E)-5-iodopent-1-enyl]benzene.
What is the SMILES notation for [(E)-5-iodopent-1-enyl]benzene?
The canonical SMILES for [(E)-5-iodopent-1-enyl]benzene is ICCC/C=C/c1ccccc1.
What is the InChIKey of [(E)-5-iodopent-1-enyl]benzene?
The InChIKey is AFWOTRIOOOBRJJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H13I/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-5,7-9H,2,6,10H2/b9-5+.
What are the key properties of [(E)-5-iodopent-1-enyl]benzene?
[(E)-5-iodopent-1-enyl]benzene has a molecular weight of 272.13 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-iodopent-1-enyl]benzene is sourced from PubChem (CID 87330563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).