1,2,4-tris(ethenyl)-5-methylbenzene

C13H14 — CID 59335502

IUPAC1,2,4-tris(ethenyl)-5-methylbenzene
SMILESC=Cc1cc(C=C)c(C=C)cc1C
InChIInChI=1S/C13H14/c1-5-11-9-13(7-3)12(6-2)8-10(11)4/h5-9H,1-3H2,4H3
InChIKeyNGRLCPICAILSMS-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.92
Rot. Bonds3

About 1,2,4-tris(ethenyl)-5-methylbenzene

1,2,4-tris(ethenyl)-5-methylbenzene (PubChem CID 59335502) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1,2,4-tris(ethenyl)-5-methylbenzene.

Molecular Properties

Compound Name1,2,4-tris(ethenyl)-5-methylbenzene
PubChem CID59335502
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name1,2,4-tris(ethenyl)-5-methylbenzene
SMILESC=Cc1cc(C=C)c(C=C)cc1C
InChIInChI=1S/C13H14/c1-5-11-9-13(7-3)12(6-2)8-10(11)4/h5-9H,1-3H2,4H3
InChIKeyNGRLCPICAILSMS-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-bis(ethenyl)-3,6-dimethylnaphthalene
CID 174382299
6-ethenyl-1,4,7-trimethylnaphthalene
CID 123671430
1-ethenyl-2,4-dimethylbenzene
CID 157285903
1,2-bis(ethenyl)-4-methyl-5-(4-methylphenyl)benzene;ethane
CID 144583365
1,4-bis(ethenyl)-2-methylbenzene;dihydrate
CID 134586695
3-ethenyl-2,5,6-trimethylphenol;methanol
CID 171080128
N-(2-ethenyl-4,5-dimethylphenyl)methanimine
CID 177137027
5-ethenyl-4-methoxy-2-methylbenzaldehyde
CID 167242721
4-ethenyl-2-fluoro-5-methylpyridine
CID 74888966
5-chloro-2-ethenyl-4-methylbenzoic acid
CID 130591320
1-ethenyl-2-methylbenzene;trimethylazanium
CID 18465530
CID 175584577
CID 175584577

Frequently Asked Questions

What is the IUPAC name of 1,2,4-tris(ethenyl)-5-methylbenzene?
The IUPAC name of 1,2,4-tris(ethenyl)-5-methylbenzene (CID 59335502) is 1,2,4-tris(ethenyl)-5-methylbenzene.
What is the SMILES notation for 1,2,4-tris(ethenyl)-5-methylbenzene?
The canonical SMILES for 1,2,4-tris(ethenyl)-5-methylbenzene is C=Cc1cc(C=C)c(C=C)cc1C.
What is the InChIKey of 1,2,4-tris(ethenyl)-5-methylbenzene?
The InChIKey is NGRLCPICAILSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-5-11-9-13(7-3)12(6-2)8-10(11)4/h5-9H,1-3H2,4H3.
What are the key properties of 1,2,4-tris(ethenyl)-5-methylbenzene?
1,2,4-tris(ethenyl)-5-methylbenzene has a molecular weight of 170.25 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tris(ethenyl)-5-methylbenzene is sourced from PubChem (CID 59335502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).