1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene

C29H34 — CID 139787945

IUPAC1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene
SMILESC=Cc1ccc(C#Cc2ccc(CCC3CCC(CC/C=C/C)CC3)cc2)cc1
InChIInChI=1S/C29H34/c1-3-5-6-7-25-12-14-27(15-13-25)18-19-29-22-20-28(21-23-29)17-16-26-10-8-24(4-2)9-11-26/h3-5,8-11,20-23,25,27H,2,6-7,12-15,18-19H2,1H3/b5-3+
InChIKeyWEDDMAJNCHZDMZ-HWKANZROSA-N
MW382.59 g/mol
LogP7.82
Rot. Bonds7

About 1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene

1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene (PubChem CID 139787945) has the molecular formula C29H34 and a molecular weight of 382.59 g/mol. Its IUPAC name is 1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene
PubChem CID139787945
Molecular FormulaC29H34
Molecular Weight382.59 g/mol
Exact Mass382.27
IUPAC Name1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene
SMILESC=Cc1ccc(C#Cc2ccc(CCC3CCC(CC/C=C/C)CC3)cc2)cc1
InChIInChI=1S/C29H34/c1-3-5-6-7-25-12-14-27(15-13-25)18-19-29-22-20-28(21-23-29)17-16-26-10-8-24(4-2)9-11-26/h3-5,8-11,20-23,25,27H,2,6-7,12-15,18-19H2,1H3/b5-3+
InChIKeyWEDDMAJNCHZDMZ-HWKANZROSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trifluoro-6-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]naphthalene
CID 139858932
1-fluoro-6-methyl-2-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]naphthalene
CID 139877147
1-[2-(4-butylcyclohexyl)ethyl]-4-[2-[4-[(E)-pent-1-enyl]phenyl]ethynyl]benzene
CID 139788019
1-[(E)-but-1-enyl]-4-[2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 139787862
1-methyl-4-[2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene
CID 20588787
1-(2-cyclohexylethyl)-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene
CID 139787825
5-[2-(4-ethenylphenyl)ethyl]-2-methylazepane
CID 66742980
4-[2-(4-but-2-enylcyclohexyl)ethyl]benzonitrile
CID 57157511
1-[2-(4-butylcyclohexyl)ethyl]-4-[2-[4-[(E)-hept-3-enyl]phenyl]ethynyl]benzene
CID 139787998
1-fluoro-2-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]-6-[2-(4-prop-2-enylcyclohexyl)ethyl]naphthalene
CID 139876196
1-fluoro-2-[2-(4-hexylphenyl)ethynyl]-6-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]naphthalene
CID 139876979
1-[2-(4-methylcyclohexyl)ethyl]-4-[2-[4-[(E)-oct-3-enyl]phenyl]ethynyl]benzene
CID 139787879

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene?
The IUPAC name of 1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene (CID 139787945) is 1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene.
What is the SMILES notation for 1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene?
The canonical SMILES for 1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene is C=Cc1ccc(C#Cc2ccc(CCC3CCC(CC/C=C/C)CC3)cc2)cc1.
What is the InChIKey of 1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene?
The InChIKey is WEDDMAJNCHZDMZ-HWKANZROSA-N. The full InChI is InChI=1S/C29H34/c1-3-5-6-7-25-12-14-27(15-13-25)18-19-29-22-20-28(21-23-29)17-16-26-10-8-24(4-2)9-11-26/h3-5,8-11,20-23,25,27H,2,6-7,12-15,18-19H2,1H3/b5-3+.
What are the key properties of 1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene?
1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene has a molecular weight of 382.59 g/mol, XLogP of 7.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[2-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]ethynyl]benzene is sourced from PubChem (CID 139787945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).