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

C34H42 — CID 21052664

IUPAC1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
SMILESC/C=C/CCc1ccc(CCC2CCC(c3ccc(CC(C)c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C34H42/c1-3-4-6-9-28-12-14-29(15-13-28)16-17-30-18-22-33(23-19-30)34-24-20-31(21-25-34)26-27(2)32-10-7-5-8-11-32/h3-5,7-8,10-15,20-21,24-25,27,30,33H,6,9,16-19,22-23,26H2,1-2H3/b4-3+
InChIKeyJTKFOAYEKSEBMC-ONEGZZNKSA-N
MW450.71 g/mol
LogP9.45
Rot. Bonds10

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

1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene (PubChem CID 21052664) has the molecular formula C34H42 and a molecular weight of 450.71 g/mol. Its IUPAC name is 1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
PubChem CID21052664
Molecular FormulaC34H42
Molecular Weight450.71 g/mol
Exact Mass450.33
IUPAC Name1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
SMILESC/C=C/CCc1ccc(CCC2CCC(c3ccc(CC(C)c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C34H42/c1-3-4-6-9-28-12-14-29(15-13-28)16-17-30-18-22-33(23-19-30)34-24-20-31(21-25-34)26-27(2)32-10-7-5-8-11-32/h3-5,7-8,10-15,20-21,24-25,27,30,33H,6,9,16-19,22-23,26H2,1-2H3/b4-3+
InChIKeyJTKFOAYEKSEBMC-ONEGZZNKSA-N
XLogP9.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.71
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-pent-3-enylcyclohexyl)ethyl]-4-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 90889920
1,3-difluoro-5-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]cyclohexyl]-2-[(2S)-2-phenylpropyl]benzene
CID 58698580
1-[(E)-pent-3-enyl]-4-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]benzene
CID 58698248
1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene
CID 58699027
[4-[(E)-pent-3-enyl]phenyl] 4-[4-(2-phenylpropyl)phenyl]cyclohexane-1-carboxylate
CID 21053086
1,2,3-trifluoro-5-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
CID 21052402
2-fluoro-1-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethenyl]-4-[(2S)-2-phenylpropyl]benzene
CID 58699346
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
CID 58698224
1,3-difluoro-5-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]-2-[(2S)-2-phenylpropyl]benzene
CID 58698259
1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene
CID 58698060
2-fluoro-1-pent-3-enyl-4-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 91059235
1,3-difluoro-2-pent-3-enyl-5-[4-[2-[4-[(2R)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 91318136

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene?
The IUPAC name of 1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene (CID 21052664) is 1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene?
The canonical SMILES for 1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene is C/C=C/CCc1ccc(CCC2CCC(c3ccc(CC(C)c4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene?
The InChIKey is JTKFOAYEKSEBMC-ONEGZZNKSA-N. The full InChI is InChI=1S/C34H42/c1-3-4-6-9-28-12-14-29(15-13-28)16-17-30-18-22-33(23-19-30)34-24-20-31(21-25-34)26-27(2)32-10-7-5-8-11-32/h3-5,7-8,10-15,20-21,24-25,27,30,33H,6,9,16-19,22-23,26H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene?
1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene has a molecular weight of 450.71 g/mol, XLogP of 9.45, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene is sourced from PubChem (CID 21052664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).