1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane

C15H26 — CID 153374164

IUPAC1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane
SMILESC.C/C=C(/C)c1ccc(C)cc1C.CC
InChIInChI=1S/C12H16.C2H6.CH4/c1-5-10(3)12-7-6-9(2)8-11(12)4;1-2;/h5-8H,1-4H3;1-2H3;1H4/b10-5-;;
InChIKeyVRAJIBASMCNWHF-KGEBAWAISA-N
MW206.37 g/mol
LogP5.39
Rot. Bonds1

About 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane

1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane (PubChem CID 153374164) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane.

Molecular Properties

Compound Name1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane
PubChem CID153374164
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane
SMILESC.C/C=C(/C)c1ccc(C)cc1C.CC
InChIInChI=1S/C12H16.C2H6.CH4/c1-5-10(3)12-7-6-9(2)8-11(12)4;1-2;/h5-8H,1-4H3;1-2H3;1H4/b10-5-;;
InChIKeyVRAJIBASMCNWHF-KGEBAWAISA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
CID 143717580
2-[(Z)-but-2-en-2-yl]-5-methylphenol
CID 22825363
2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene
CID 168947702
2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene
CID 144777927
1-[1-(2,4-dimethylphenyl)-4-methylpenta-1,3-dienyl]-2,4-dimethylbenzene
CID 20657013
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
4-but-2-en-2-yl-5-methylbenzene-1,2-diol
CID 123309072
2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene
CID 177145999
(1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol
CID 146991450
4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene
CID 91045189

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane?
The IUPAC name of 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane (CID 153374164) is 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane.
What is the SMILES notation for 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane?
The canonical SMILES for 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane is C.C/C=C(/C)c1ccc(C)cc1C.CC.
What is the InChIKey of 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane?
The InChIKey is VRAJIBASMCNWHF-KGEBAWAISA-N. The full InChI is InChI=1S/C12H16.C2H6.CH4/c1-5-10(3)12-7-6-9(2)8-11(12)4;1-2;/h5-8H,1-4H3;1-2H3;1H4/b10-5-;;.
What are the key properties of 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane?
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane has a molecular weight of 206.37 g/mol, XLogP of 5.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane is sourced from PubChem (CID 153374164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).