2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene

C13H16 — CID 145238081

IUPAC2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene
SMILESC=Cc1c(C)cc(C)cc1C(=C)C
InChIInChI=1S/C13H16/c1-6-12-11(5)7-10(4)8-13(12)9(2)3/h6-8H,1-2H2,3-5H3
InChIKeyZYIJVPSALUBTJH-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.98
Rot. Bonds2

About 2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene

2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene (PubChem CID 145238081) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene
PubChem CID145238081
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene
SMILESC=Cc1c(C)cc(C)cc1C(=C)C
InChIInChI=1S/C13H16/c1-6-12-11(5)7-10(4)8-13(12)9(2)3/h6-8H,1-2H2,3-5H3
InChIKeyZYIJVPSALUBTJH-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethenyl-1,3,5-trimethylbenzene
CID 158735169
2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene
CID 145154814
2,4-dimethyl-6-prop-1-en-2-ylaniline
CID 144506945
1-chloro-2-ethenyl-3,5-dimethylbenzene
CID 143091149
2,4-dimethyl-1-(4-methyl-2-prop-1-en-2-ylphenyl)benzene
CID 142964913
1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane
CID 144506946
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
ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene
CID 163218853
5-methyl-1,2-diphenyl-3-prop-1-en-2-ylbenzene
CID 143163234
1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene
CID 149146879
1,4-dimethyl-2-prop-1-en-2-ylbenzene;bis(1-ethenyl-4-methylbenzene);hexane;bis(3-methylbut-1-ene);bis(octane)
CID 154679400

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene?
The IUPAC name of 2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene (CID 145238081) is 2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene?
The canonical SMILES for 2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene is C=Cc1c(C)cc(C)cc1C(=C)C.
What is the InChIKey of 2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene?
The InChIKey is ZYIJVPSALUBTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-6-12-11(5)7-10(4)8-13(12)9(2)3/h6-8H,1-2H2,3-5H3.
What are the key properties of 2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene?
2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene has a molecular weight of 172.27 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 145238081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).