[(E)-5-chloropent-3-enyl]benzene

C11H13Cl — CID 101263863

IUPAC[(E)-5-chloropent-3-enyl]benzene
SMILESClC/C=C/CCc1ccccc1
InChIInChI=1S/C11H13Cl/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-4,6-8H,5,9-10H2/b6-2+
InChIKeyMGWVWHJIFFAIHI-QHHAFSJGSA-N
MW180.68 g/mol
LogP3.41
Rot. Bonds4

About [(E)-5-chloropent-3-enyl]benzene

[(E)-5-chloropent-3-enyl]benzene (PubChem CID 101263863) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is [(E)-5-chloropent-3-enyl]benzene.

Molecular Properties

Compound Name[(E)-5-chloropent-3-enyl]benzene
PubChem CID101263863
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name[(E)-5-chloropent-3-enyl]benzene
SMILESClC/C=C/CCc1ccccc1
InChIInChI=1S/C11H13Cl/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-4,6-8H,5,9-10H2/b6-2+
InChIKeyMGWVWHJIFFAIHI-QHHAFSJGSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pent-3-enylbenzene
CID 519421
(E)-4-chloro-N-(3-phenylpropyl)but-2-en-1-amine
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CID 10913752
hepta-3,5-dienylbenzene
CID 54230830
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
7-phenylhepta-2,4-dien-1-ol
CID 123622539
potassium trifluoro-[(Z)-4-phenylbut-1-enyl]boranuide
CID 23677745
[(E)-4-cyclopropylbut-3-enyl]benzene
CID 169432340
5-chloropent-2-enylbenzene
CID 79603176
benzene;2-phenylethylbenzene
CID 18982764
2-methyl-6-phenylhex-3-en-2-ol
CID 73102528

Frequently Asked Questions

What is the IUPAC name of [(E)-5-chloropent-3-enyl]benzene?
The IUPAC name of [(E)-5-chloropent-3-enyl]benzene (CID 101263863) is [(E)-5-chloropent-3-enyl]benzene.
What is the SMILES notation for [(E)-5-chloropent-3-enyl]benzene?
The canonical SMILES for [(E)-5-chloropent-3-enyl]benzene is ClC/C=C/CCc1ccccc1.
What is the InChIKey of [(E)-5-chloropent-3-enyl]benzene?
The InChIKey is MGWVWHJIFFAIHI-QHHAFSJGSA-N. The full InChI is InChI=1S/C11H13Cl/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-4,6-8H,5,9-10H2/b6-2+.
What are the key properties of [(E)-5-chloropent-3-enyl]benzene?
[(E)-5-chloropent-3-enyl]benzene has a molecular weight of 180.68 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-chloropent-3-enyl]benzene is sourced from PubChem (CID 101263863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).