1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene

C22H26 — CID 76695097

IUPAC1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
SMILESCC=CCCc1ccc(-c2ccc(CCC=CC)cc2)cc1
InChIInChI=1S/C22H26/c1-3-5-7-9-19-11-15-21(16-12-19)22-17-13-20(14-18-22)10-8-6-4-2/h3-6,11-18H,7-10H2,1-2H3
InChIKeyHXGKTMAESQVMPX-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.37
Rot. Bonds7

About 1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene

1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene (PubChem CID 76695097) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene.

Molecular Properties

Compound Name1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
PubChem CID76695097
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
SMILESCC=CCCc1ccc(-c2ccc(CCC=CC)cc2)cc1
InChIInChI=1S/C22H26/c1-3-5-7-9-19-11-15-21(16-12-19)22-17-13-20(14-18-22)10-8-6-4-2/h3-6,11-18H,7-10H2,1-2H3
InChIKeyHXGKTMAESQVMPX-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.37
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-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene
CID 140774680
1-pent-3-enyl-4-propylbenzene
CID 72599491
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
CID 140774698
1-fluoro-4-[4-[2-(4-pent-3-enylphenyl)ethynyl]phenyl]benzene
CID 139754130
pent-3-enylbenzene
CID 519421
1-hex-4-enyl-4-phenylbenzene
CID 174423294
1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene
CID 126610314
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene
CID 71056346
4-[(Z)-pent-3-enyl]benzonitrile
CID 83927480
1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene
CID 140619230

Frequently Asked Questions

What is the IUPAC name of 1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene?
The IUPAC name of 1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene (CID 76695097) is 1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene.
What is the SMILES notation for 1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene?
The canonical SMILES for 1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene is CC=CCCc1ccc(-c2ccc(CCC=CC)cc2)cc1.
What is the InChIKey of 1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene?
The InChIKey is HXGKTMAESQVMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-3-5-7-9-19-11-15-21(16-12-19)22-17-13-20(14-18-22)10-8-6-4-2/h3-6,11-18H,7-10H2,1-2H3.
What are the key properties of 1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene?
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene has a molecular weight of 290.45 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene is sourced from PubChem (CID 76695097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).