1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene

C21H24 — CID 22572053

IUPAC1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
SMILESC=Cc1ccccc1CCCCCc1ccccc1C=C
InChIInChI=1S/C21H24/c1-3-18-12-8-10-16-20(18)14-6-5-7-15-21-17-11-9-13-19(21)4-2/h3-4,8-13,16-17H,1-2,5-7,14-15H2
InChIKeyRGDMQXATPADBKL-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.93
Rot. Bonds8

About 1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene

1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene (PubChem CID 22572053) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene.

Molecular Properties

Compound Name1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
PubChem CID22572053
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
SMILESC=Cc1ccccc1CCCCCc1ccccc1C=C
InChIInChI=1S/C21H24/c1-3-18-12-8-10-16-20(18)14-6-5-7-15-21-17-11-9-13-19(21)4-2/h3-4,8-13,16-17H,1-2,5-7,14-15H2
InChIKeyRGDMQXATPADBKL-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.93
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-(7-bromoheptyl)-2-ethenylbenzene
CID 22468213
1-ethenyl-2-pentylbenzene
CID 22171756
5-(2-ethenylphenyl)pentanoic acid
CID 91512730
acetonitrile;1-butyl-2-ethenylbenzene
CID 18674742
acetic acid;1-butyl-2-ethenylbenzene
CID 174903313
1,2-bis(ethenyl)-3-octadecylbenzene
CID 18628258
1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene
CID 158873338
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
1-(3,4-dichlorobutyl)-2-ethenylbenzene
CID 66808199
2-(7-bromoheptyl)benzaldehyde
CID 15617526
CID 23499942
CID 23499942
1-ethenyl-2-[2-[(2-ethenylphenyl)methoxy]ethoxymethyl]benzene
CID 86246407

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene?
The IUPAC name of 1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene (CID 22572053) is 1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene.
What is the SMILES notation for 1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene?
The canonical SMILES for 1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene is C=Cc1ccccc1CCCCCc1ccccc1C=C.
What is the InChIKey of 1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene?
The InChIKey is RGDMQXATPADBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24/c1-3-18-12-8-10-16-20(18)14-6-5-7-15-21-17-11-9-13-19(21)4-2/h3-4,8-13,16-17H,1-2,5-7,14-15H2.
What are the key properties of 1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene?
1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene has a molecular weight of 276.42 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene is sourced from PubChem (CID 22572053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).