[(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene

C17H22 — CID 140946016

IUPAC[(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene
SMILESC1=C(/C=C/CCCc2ccccc2)CCCC1
InChIInChI=1S/C17H22/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17/h1,4-5,9-12,15H,2-3,6-8,13-14H2/b15-9+
InChIKeyMLLUQDABINMABK-OQLLNIDSSA-N
MW226.36 g/mol
LogP5.07
Rot. Bonds5

About [(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene

[(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene (PubChem CID 140946016) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is [(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene.

Molecular Properties

Compound Name[(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene
PubChem CID140946016
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name[(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene
SMILESC1=C(/C=C/CCCc2ccccc2)CCCC1
InChIInChI=1S/C17H22/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17/h1,4-5,9-12,15H,2-3,6-8,13-14H2/b15-9+
InChIKeyMLLUQDABINMABK-OQLLNIDSSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[(E)-3-(cyclohexen-1-yl)prop-2-enyl]ethenesulfonamide
CID 101389969
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(Z)-6-(cyclohexen-1-yl)hex-5-en-2-one
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[(E)-5-bromopent-4-enyl]benzene
CID 15076450
[(E)-2-(cyclohexen-1-yl)ethenyl]-diphenylborane
CID 14195281
2-[(E)-5-phenylpent-1-enyl]pyridine
CID 132566221
1-(cyclohexen-1-yl)-4-phenylbutan-1-amine
CID 106657277
1-[(Z)-prop-1-enyl]cycloheptene
CID 135080303
1,4-bis(3-phenylpropyl)benzene
CID 59467322
(E)-6-phenylhex-2-enal
CID 5368478
[(Z)-2-(cyclohexen-1-yl)ethenyl]-methyl-diphenylsilane
CID 101364519
[(E)-2-(cyclohexen-1-yl)-1-deuterioethenyl]tellanylbenzene
CID 134996531

Frequently Asked Questions

What is the IUPAC name of [(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene?
The IUPAC name of [(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene (CID 140946016) is [(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene.
What is the SMILES notation for [(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene?
The canonical SMILES for [(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene is C1=C(/C=C/CCCc2ccccc2)CCCC1.
What is the InChIKey of [(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene?
The InChIKey is MLLUQDABINMABK-OQLLNIDSSA-N. The full InChI is InChI=1S/C17H22/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17/h1,4-5,9-12,15H,2-3,6-8,13-14H2/b15-9+.
What are the key properties of [(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene?
[(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene has a molecular weight of 226.36 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-(cyclohexen-1-yl)pent-4-enyl]benzene is sourced from PubChem (CID 140946016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).