1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene

C22H26 — CID 91200175

IUPAC1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene
SMILESC=Cc1ccc(CCCCCCc2cccc(C=C)c2)cc1
InChIInChI=1S/C22H26/c1-3-19-14-16-21(17-15-19)10-7-5-6-8-11-22-13-9-12-20(4-2)18-22/h3-4,9,12-18H,1-2,5-8,10-11H2
InChIKeyMGKAQOPLFNDIEC-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.32
Rot. Bonds9

About 1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene

1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene (PubChem CID 91200175) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene.

Molecular Properties

Compound Name1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene
PubChem CID91200175
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene
SMILESC=Cc1ccc(CCCCCCc2cccc(C=C)c2)cc1
InChIInChI=1S/C22H26/c1-3-19-14-16-21(17-15-19)10-7-5-6-8-11-22-13-9-12-20(4-2)18-22/h3-4,9,12-18H,1-2,5-8,10-11H2
InChIKeyMGKAQOPLFNDIEC-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.32
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

1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene
CID 175399717
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
1,3-bis[2-(4-ethenylphenyl)ethyl]benzene
CID 20738929
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
(3-ethenylphenyl)methylphosphanium chloride
CID 159346927
6-(4-ethenylphenyl)hexan-1-amine;hydrochloride
CID 71420169
17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine
CID 178066852
1-butyl-3-ethenylbenzene;1-ethenyl-3-hexylbenzene;1-ethenyl-3-methylbenzene;3-hexylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 159227161
3-(4-ethenylphenyl)propane-1-thiol
CID 59552728
1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium
CID 135291635
2-[2-(3-ethenylphenyl)ethyl]oxirane
CID 54340716

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene?
The IUPAC name of 1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene (CID 91200175) is 1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene.
What is the SMILES notation for 1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene?
The canonical SMILES for 1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene is C=Cc1ccc(CCCCCCc2cccc(C=C)c2)cc1.
What is the InChIKey of 1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene?
The InChIKey is MGKAQOPLFNDIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-3-19-14-16-21(17-15-19)10-7-5-6-8-11-22-13-9-12-20(4-2)18-22/h3-4,9,12-18H,1-2,5-8,10-11H2.
What are the key properties of 1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene?
1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene has a molecular weight of 290.45 g/mol, XLogP of 6.32, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene is sourced from PubChem (CID 91200175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).