1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane

C15H24 — CID 143194755

IUPAC1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane
SMILESCC.CC/C(C)=C/c1cc(C)ccc1C
InChIInChI=1S/C13H18.C2H6/c1-5-10(2)8-13-9-11(3)6-7-12(13)4;1-2/h6-9H,5H2,1-4H3;1-2H3/b10-8+;
InChIKeyUMHMGEXTMLLDJD-VRTOBVRTSA-N
MW204.36 g/mol
LogP5.14
Rot. Bonds2

About 1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane

1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane (PubChem CID 143194755) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane.

Molecular Properties

Compound Name1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane
PubChem CID143194755
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane
SMILESCC.CC/C(C)=C/c1cc(C)ccc1C
InChIInChI=1S/C13H18.C2H6/c1-5-10(2)8-13-9-11(3)6-7-12(13)4;1-2/h6-9H,5H2,1-4H3;1-2H3/b10-8+;
InChIKeyUMHMGEXTMLLDJD-VRTOBVRTSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene
CID 144671874
2-[2-(chloromethyl)but-1-enyl]-1,4-dimethylbenzene
CID 79334693
1-methyl-2-(2-methylbut-1-enyl)benzene
CID 123992258
1,4-dimethyl-2-(2-methylbut-1-en-3-ynyl)benzene
CID 123393839
2,5-dimethylbenzaldehyde;ethane
CID 142106726
1-[3-[(E)-1-(2,5-dimethylphenyl)prop-1-en-2-yl]-5-propylphenyl]ethanone
CID 144776567
(Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane
CID 143503562
2-[2-(3-but-1-en-2-ylphenyl)hex-1-enyl]-1,4-dimethylbenzene
CID 142815850
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879
butane;ethane;1,2,4-trimethylbenzene
CID 143613706
4-ethyl-1-methyl-2-[(E)-2-(3-methylphenyl)but-1-enyl]benzene
CID 145300557
1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene
CID 131387958

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane?
The IUPAC name of 1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane (CID 143194755) is 1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane.
What is the SMILES notation for 1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane?
The canonical SMILES for 1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane is CC.CC/C(C)=C/c1cc(C)ccc1C.
What is the InChIKey of 1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane?
The InChIKey is UMHMGEXTMLLDJD-VRTOBVRTSA-N. The full InChI is InChI=1S/C13H18.C2H6/c1-5-10(2)8-13-9-11(3)6-7-12(13)4;1-2/h6-9H,5H2,1-4H3;1-2H3/b10-8+;.
What are the key properties of 1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane?
1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane has a molecular weight of 204.36 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane is sourced from PubChem (CID 143194755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).