ethane;2-ethenyl-1,3,4-trimethylbenzene

C15H26 — CID 145148540

IUPACethane;2-ethenyl-1,3,4-trimethylbenzene
SMILESC=Cc1c(C)ccc(C)c1C.CC.CC
InChIInChI=1S/C11H14.2C2H6/c1-5-11-9(3)7-6-8(2)10(11)4;2*1-2/h5-7H,1H2,2-4H3;2*1-2H3
InChIKeyMEQMLWPVLAKELV-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.31
Rot. Bonds1

About ethane;2-ethenyl-1,3,4-trimethylbenzene

ethane;2-ethenyl-1,3,4-trimethylbenzene (PubChem CID 145148540) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is ethane;2-ethenyl-1,3,4-trimethylbenzene.

Molecular Properties

Compound Nameethane;2-ethenyl-1,3,4-trimethylbenzene
PubChem CID145148540
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Nameethane;2-ethenyl-1,3,4-trimethylbenzene
SMILESC=Cc1c(C)ccc(C)c1C.CC.CC
InChIInChI=1S/C11H14.2C2H6/c1-5-11-9(3)7-6-8(2)10(11)4;2*1-2/h5-7H,1H2,2-4H3;2*1-2H3
InChIKeyMEQMLWPVLAKELV-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 151762255
2-ethenyl-3,6-dimethylbenzenethiol
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acetylene;2-ethenyl-1,3-dimethylbenzene
CID 142972019
2-ethenyl-1,3-difluoro-4-methylbenzene
CID 134441923
oxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium
CID 152506957
4-ethenyl-5-methyl-1-benzothiophene
CID 123205107
2,3-bis(ethenyl)-4-methylpyridine;ethane;propane
CID 155736263
1-[(3E)-3,6-dimethylhepta-3,5-dienyl]-3-ethenyl-2,4-dimethylbenzene
CID 142004323
ethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene
CID 144779350
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
3-chloro-1,2-bis(ethenyl)-4-methylbenzene
CID 156751029

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-1,3,4-trimethylbenzene?
The IUPAC name of ethane;2-ethenyl-1,3,4-trimethylbenzene (CID 145148540) is ethane;2-ethenyl-1,3,4-trimethylbenzene.
What is the SMILES notation for ethane;2-ethenyl-1,3,4-trimethylbenzene?
The canonical SMILES for ethane;2-ethenyl-1,3,4-trimethylbenzene is C=Cc1c(C)ccc(C)c1C.CC.CC.
What is the InChIKey of ethane;2-ethenyl-1,3,4-trimethylbenzene?
The InChIKey is MEQMLWPVLAKELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.2C2H6/c1-5-11-9(3)7-6-8(2)10(11)4;2*1-2/h5-7H,1H2,2-4H3;2*1-2H3.
What are the key properties of ethane;2-ethenyl-1,3,4-trimethylbenzene?
ethane;2-ethenyl-1,3,4-trimethylbenzene has a molecular weight of 206.37 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-1,3,4-trimethylbenzene is sourced from PubChem (CID 145148540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).