2-ethenyl-1,3,5-trimethylbenzene

C22H28 — CID 158735169

IUPAC2-ethenyl-1,3,5-trimethylbenzene
SMILESC=Cc1c(C)cc(C)cc1C.C=Cc1c(C)cc(C)cc1C
InChIInChI=1S/2C11H14/c2*1-5-11-9(3)6-8(2)7-10(11)4/h2*5-7H,1H2,2-4H3
InChIKeyILOXPFPYZYKDSQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.51
Rot. Bonds2

About 2-ethenyl-1,3,5-trimethylbenzene

2-ethenyl-1,3,5-trimethylbenzene (PubChem CID 158735169) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-ethenyl-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-ethenyl-1,3,5-trimethylbenzene
PubChem CID158735169
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name2-ethenyl-1,3,5-trimethylbenzene
SMILESC=Cc1c(C)cc(C)cc1C.C=Cc1c(C)cc(C)cc1C
InChIInChI=1S/2C11H14/c2*1-5-11-9(3)6-8(2)7-10(11)4/h2*5-7H,1H2,2-4H3
InChIKeyILOXPFPYZYKDSQ-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-ethenyl-3,5-dimethylbenzene
CID 143091149
2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene
CID 145238081
(2-ethenyl-4,6-dimethylphenyl)methanimine
CID 142023097
4-ethenyl-1,2,3-trifluoro-5-methylbenzene
CID 141314724
2,3-bis(ethenyl)-5,7-dimethyl-1-benzofuran
CID 123553772
1,3,5-trimethyl-2-prop-1-enylbenzene
CID 54520603
2-ethenyl-1-[(1Z,3E)-2-ethyl-3-methylpenta-1,3-dienyl]-3,5-dimethylbenzene
CID 142542320
2,3-bis(ethenyl)-4,6-dimethylphenol;ethane
CID 144779351
acetylene;2-ethenyl-1,3-dimethylbenzene
CID 142972019
3-ethenyl-4,6-dimethylpyridin-2-amine
CID 74888687
1-ethenyl-5,7-dimethyl-2-propylnaphthalene
CID 143776422
1-ethenyl-2,4-dimethylbenzene
CID 157285903

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,3,5-trimethylbenzene?
The IUPAC name of 2-ethenyl-1,3,5-trimethylbenzene (CID 158735169) is 2-ethenyl-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-ethenyl-1,3,5-trimethylbenzene?
The canonical SMILES for 2-ethenyl-1,3,5-trimethylbenzene is C=Cc1c(C)cc(C)cc1C.C=Cc1c(C)cc(C)cc1C.
What is the InChIKey of 2-ethenyl-1,3,5-trimethylbenzene?
The InChIKey is ILOXPFPYZYKDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14/c2*1-5-11-9(3)6-8(2)7-10(11)4/h2*5-7H,1H2,2-4H3.
What are the key properties of 2-ethenyl-1,3,5-trimethylbenzene?
2-ethenyl-1,3,5-trimethylbenzene has a molecular weight of 292.47 g/mol, XLogP of 6.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,3,5-trimethylbenzene is sourced from PubChem (CID 158735169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).