1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene

C20H22 — CID 158777597

IUPAC1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene
SMILESC=Cc1cc(C)cc(C=C)c1.C=Cc1ccc(C)cc1
InChIInChI=1S/C11H12.C9H10/c1-4-10-6-9(3)7-11(5-2)8-10;1-3-9-6-4-8(2)5-7-9/h4-8H,1-2H2,3H3;3-7H,1H2,2H3
InChIKeyIQQXWPHZSZVVFI-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.92
Rot. Bonds3

About 1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene

1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene (PubChem CID 158777597) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene.

Molecular Properties

Compound Name1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene
PubChem CID158777597
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene
SMILESC=Cc1cc(C)cc(C=C)c1.C=Cc1ccc(C)cc1
InChIInChI=1S/C11H12.C9H10/c1-4-10-6-9(3)7-11(5-2)8-10;1-3-9-6-4-8(2)5-7-9/h4-8H,1-2H2,3H3;3-7H,1H2,2H3
InChIKeyIQQXWPHZSZVVFI-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
M-Xylene
CID 7929
P-Xylene
CID 7809
1,2,4-Trimethylbenzene
CID 7247
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864
Mesitylene
CID 7947
M-Terphenyl
CID 7076
2-Methylnaphthalene
CID 7055
2,6-Dimethylnaphthalene
CID 11387
4-tert-Butyltoluene
CID 7390
1,4-Diethylbenzene
CID 7734

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene?
The IUPAC name of 1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene (CID 158777597) is 1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene.
What is the SMILES notation for 1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene?
The canonical SMILES for 1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene is C=Cc1cc(C)cc(C=C)c1.C=Cc1ccc(C)cc1.
What is the InChIKey of 1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene?
The InChIKey is IQQXWPHZSZVVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12.C9H10/c1-4-10-6-9(3)7-11(5-2)8-10;1-3-9-6-4-8(2)5-7-9/h4-8H,1-2H2,3H3;3-7H,1H2,2H3.
What are the key properties of 1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene?
1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene has a molecular weight of 262.40 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene is sourced from PubChem (CID 158777597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).