1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene

C14H20 — CID 167484189

IUPAC1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene
SMILESCC/C(C)=C(\C)c1cc(C)ccc1C
InChIInChI=1S/C14H20/c1-6-11(3)13(5)14-9-10(2)7-8-12(14)4/h7-9H,6H2,1-5H3/b13-11+
InChIKeyYDBUOPKWDOEVCK-ACCUITESSA-N
MW188.31 g/mol
LogP4.51
Rot. Bonds2

About 1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene

1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene (PubChem CID 167484189) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene
PubChem CID167484189
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene
SMILESCC/C(C)=C(\C)c1cc(C)ccc1C
InChIInChI=1S/C14H20/c1-6-11(3)13(5)14-9-10(2)7-8-12(14)4/h7-9H,6H2,1-5H3/b13-11+
InChIKeyYDBUOPKWDOEVCK-ACCUITESSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde
CID 145192403
(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol
CID 126634568
2-but-1-en-2-yl-1,4-dimethylbenzene;ethane;2-methylbut-1-ene;2-methylpropane;1,2,4-trimethylbenzene
CID 142019907
1,4-dimethyl-2-[(Z)-2-methyl-1-phenylpent-2-en-3-yl]benzene;ethane
CID 142883836
(E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine
CID 89246077
ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene
CID 142494445
(E)-3-(2,5-dimethylphenyl)pent-3-en-2-one;2-methylbutane
CID 143608651
2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide
CID 64997381
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
ethyl (2S)-3-(2,5-dimethylphenyl)-2-methyl-3-oxopropanoate
CID 97035574
2-(aminomethyl)-1-(2,5-dimethylphenyl)butan-1-one
CID 116575283

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene?
The IUPAC name of 1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene (CID 167484189) is 1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene.
What is the SMILES notation for 1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene?
The canonical SMILES for 1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene is CC/C(C)=C(\C)c1cc(C)ccc1C.
What is the InChIKey of 1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene?
The InChIKey is YDBUOPKWDOEVCK-ACCUITESSA-N. The full InChI is InChI=1S/C14H20/c1-6-11(3)13(5)14-9-10(2)7-8-12(14)4/h7-9H,6H2,1-5H3/b13-11+.
What are the key properties of 1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene?
1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene has a molecular weight of 188.31 g/mol, XLogP of 4.51, 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)-3-methylpent-2-en-2-yl]benzene is sourced from PubChem (CID 167484189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).