1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene

C32H36 — CID 140619230

IUPAC1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene
SMILESC/C=C/CCc1ccc(C2C=CC(c3ccc(-c4ccc(CCC)cc4)cc3)CC2)cc1
InChIInChI=1S/C32H36/c1-3-5-6-8-26-11-15-28(16-12-26)30-19-23-32(24-20-30)31-21-17-29(18-22-31)27-13-9-25(7-4-2)10-14-27/h3,5,9-19,21-23,30,32H,4,6-8,20,24H2,1-2H3/b5-3+
InChIKeyFNLUYSUVXLOCSW-HWKANZROSA-N
MW420.64 g/mol
LogP9.03
Rot. Bonds8

About 1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene

1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene (PubChem CID 140619230) has the molecular formula C32H36 and a molecular weight of 420.64 g/mol. Its IUPAC name is 1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene.

Molecular Properties

Compound Name1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene
PubChem CID140619230
Molecular FormulaC32H36
Molecular Weight420.64 g/mol
Exact Mass420.28
IUPAC Name1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene
SMILESC/C=C/CCc1ccc(C2C=CC(c3ccc(-c4ccc(CCC)cc4)cc3)CC2)cc1
InChIInChI=1S/C32H36/c1-3-5-6-8-26-11-15-28(16-12-26)30-19-23-32(24-20-30)31-21-17-29(18-22-31)27-13-9-25(7-4-2)10-14-27/h3,5,9-19,21-23,30,32H,4,6-8,20,24H2,1-2H3/b5-3+
InChIKeyFNLUYSUVXLOCSW-HWKANZROSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 59.03
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-pent-3-enyl-4-propylbenzene
CID 72599491
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene
CID 21464604
2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853671
(4aR,6R,8aR)-2-methyl-6-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809526
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
2-ethyl-6-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384397
(4aR,6R,8aR)-2-ethyl-6-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809523
1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene
CID 140774680
2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 76621394
1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene
CID 123564323
N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54210930

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene?
The IUPAC name of 1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene (CID 140619230) is 1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene.
What is the SMILES notation for 1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene?
The canonical SMILES for 1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene is C/C=C/CCc1ccc(C2C=CC(c3ccc(-c4ccc(CCC)cc4)cc3)CC2)cc1.
What is the InChIKey of 1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene?
The InChIKey is FNLUYSUVXLOCSW-HWKANZROSA-N. The full InChI is InChI=1S/C32H36/c1-3-5-6-8-26-11-15-28(16-12-26)30-19-23-32(24-20-30)31-21-17-29(18-22-31)27-13-9-25(7-4-2)10-14-27/h3,5,9-19,21-23,30,32H,4,6-8,20,24H2,1-2H3/b5-3+.
What are the key properties of 1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene?
1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene has a molecular weight of 420.64 g/mol, XLogP of 9.03, 8 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-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene is sourced from PubChem (CID 140619230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).