ethene;1-ethenyl-4-pentylbenzene;1-methyl-2-[(E)-1-(4-methylphenyl)hex-1-en-2-yl]benzene

C35H46 — CID 143205790

IUPACethene;1-ethenyl-4-pentylbenzene;1-methyl-2-[(E)-1-(4-methylphenyl)hex-1-en-2-yl]benzene
SMILESC=C.C=Cc1ccc(CCCCC)cc1.CCCC/C(=C\c1ccc(C)cc1)c1ccccc1C
InChIInChI=1S/C20H24.C13H18.C2H4/c1-4-5-9-19(20-10-7-6-8-17(20)3)15-18-13-11-16(2)12-14-18;1-3-5-6-7-13-10-8-12(4-2)9-11-13;1-2/h6-8,10-15H,4-5,9H2,1-3H3;4,8-11H,2-3,5-7H2,1H3;1-2H2/b19-15+;;
InChIKeySXOGVVPDTYLNQN-WTBAQZMLSA-N
MW466.75 g/mol
LogP10.90
Rot. Bonds10

About ethene;1-ethenyl-4-pentylbenzene;1-methyl-2-[(E)-1-(4-methylphenyl)hex-1-en-2-yl]benzene

ethene;1-ethenyl-4-pentylbenzene;1-methyl-2-[(E)-1-(4-methylphenyl)hex-1-en-2-yl]benzene (PubChem CID 143205790) has the molecular formula C35H46 and a molecular weight of 466.75 g/mol. Its IUPAC name is ethene;1-ethenyl-4-pentylbenzene;1-methyl-2-[(E)-1-(4-methylphenyl)hex-1-en-2-yl]benzene.

Molecular Properties

Compound Nameethene;1-ethenyl-4-pentylbenzene;1-methyl-2-[(E)-1-(4-methylphenyl)hex-1-en-2-yl]benzene
PubChem CID143205790
Molecular FormulaC35H46
Molecular Weight466.75 g/mol
Exact Mass466.36
IUPAC Nameethene;1-ethenyl-4-pentylbenzene;1-methyl-2-[(E)-1-(4-methylphenyl)hex-1-en-2-yl]benzene
SMILESC=C.C=Cc1ccc(CCCCC)cc1.CCCC/C(=C\c1ccc(C)cc1)c1ccccc1C
InChIInChI=1S/C20H24.C13H18.C2H4/c1-4-5-9-19(20-10-7-6-8-17(20)3)15-18-13-11-16(2)12-14-18;1-3-5-6-7-13-10-8-12(4-2)9-11-13;1-2/h6-8,10-15H,4-5,9H2,1-3H3;4,8-11H,2-3,5-7H2,1H3;1-2H2/b19-15+;;
InChIKeySXOGVVPDTYLNQN-WTBAQZMLSA-N
XLogP10.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.75
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
1-ethenyl-4-(4-methylphenyl)benzene;hexane
CID 142178486
1-hexyl-4-methylbenzene;toluene
CID 173071388
1-methyl-4-octylbenzene
CID 11052746
1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene
CID 158873338
1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene
CID 14573367
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene
CID 157182704
1-butyl-4-methylbenzene;phenol
CID 174834955
1-butyl-4-methylbenzene;formic acid
CID 177221373
(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 20845118

Frequently Asked Questions

What is the IUPAC name of ethene;1-ethenyl-4-pentylbenzene;1-methyl-2-[(E)-1-(4-methylphenyl)hex-1-en-2-yl]benzene?
The IUPAC name of ethene;1-ethenyl-4-pentylbenzene;1-methyl-2-[(E)-1-(4-methylphenyl)hex-1-en-2-yl]benzene (CID 143205790) is ethene;1-ethenyl-4-pentylbenzene;1-methyl-2-[(E)-1-(4-methylphenyl)hex-1-en-2-yl]benzene.
What is the SMILES notation for ethene;1-ethenyl-4-pentylbenzene;1-methyl-2-[(E)-1-(4-methylphenyl)hex-1-en-2-yl]benzene?
The canonical SMILES for ethene;1-ethenyl-4-pentylbenzene;1-methyl-2-[(E)-1-(4-methylphenyl)hex-1-en-2-yl]benzene is C=C.C=Cc1ccc(CCCCC)cc1.CCCC/C(=C\c1ccc(C)cc1)c1ccccc1C.
What is the InChIKey of ethene;1-ethenyl-4-pentylbenzene;1-methyl-2-[(E)-1-(4-methylphenyl)hex-1-en-2-yl]benzene?
The InChIKey is SXOGVVPDTYLNQN-WTBAQZMLSA-N. The full InChI is InChI=1S/C20H24.C13H18.C2H4/c1-4-5-9-19(20-10-7-6-8-17(20)3)15-18-13-11-16(2)12-14-18;1-3-5-6-7-13-10-8-12(4-2)9-11-13;1-2/h6-8,10-15H,4-5,9H2,1-3H3;4,8-11H,2-3,5-7H2,1H3;1-2H2/b19-15+;;.
What are the key properties of ethene;1-ethenyl-4-pentylbenzene;1-methyl-2-[(E)-1-(4-methylphenyl)hex-1-en-2-yl]benzene?
ethene;1-ethenyl-4-pentylbenzene;1-methyl-2-[(E)-1-(4-methylphenyl)hex-1-en-2-yl]benzene has a molecular weight of 466.75 g/mol, XLogP of 10.90, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-ethenyl-4-pentylbenzene;1-methyl-2-[(E)-1-(4-methylphenyl)hex-1-en-2-yl]benzene is sourced from PubChem (CID 143205790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).