1-methyl-2-(2-methylbut-1-enyl)benzene

C12H16 — CID 123992258

IUPAC1-methyl-2-(2-methylbut-1-enyl)benzene
SMILESCCC(C)=Cc1ccccc1C
InChIInChI=1S/C12H16/c1-4-10(2)9-12-8-6-5-7-11(12)3/h5-9H,4H2,1-3H3
InChIKeyCQQSXYZATDFDKS-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.81
Rot. Bonds2

About 1-methyl-2-(2-methylbut-1-enyl)benzene

1-methyl-2-(2-methylbut-1-enyl)benzene (PubChem CID 123992258) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-methyl-2-(2-methylbut-1-enyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(2-methylbut-1-enyl)benzene
PubChem CID123992258
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-methyl-2-(2-methylbut-1-enyl)benzene
SMILESCCC(C)=Cc1ccccc1C
InChIInChI=1S/C12H16/c1-4-10(2)9-12-8-6-5-7-11(12)3/h5-9H,4H2,1-3H3
InChIKeyCQQSXYZATDFDKS-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene
CID 131387958
2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene
CID 144671874
1,4-dimethyl-2-[(E)-2-methylbut-1-enyl]benzene;ethane
CID 143194755
(Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol
CID 59925983
benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
CID 144639766
1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene
CID 162730424
(E)-1-methoxy-2-(2-methylphenyl)ethenol
CID 135049956
ethanol;2-methylbenzaldehyde
CID 161286186
ethane;1-ethenyl-2-methylbenzene;(3E,5E)-2,2,3,6-tetramethylocta-3,5-diene
CID 155717440
ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate
CID 12904653
1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene
CID 123138656
1-[2,3-dimethyl-4-(2-methylphenyl)buta-1,3-dienyl]-4-methylbenzene
CID 173169574

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylbut-1-enyl)benzene?
The IUPAC name of 1-methyl-2-(2-methylbut-1-enyl)benzene (CID 123992258) is 1-methyl-2-(2-methylbut-1-enyl)benzene.
What is the SMILES notation for 1-methyl-2-(2-methylbut-1-enyl)benzene?
The canonical SMILES for 1-methyl-2-(2-methylbut-1-enyl)benzene is CCC(C)=Cc1ccccc1C.
What is the InChIKey of 1-methyl-2-(2-methylbut-1-enyl)benzene?
The InChIKey is CQQSXYZATDFDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-4-10(2)9-12-8-6-5-7-11(12)3/h5-9H,4H2,1-3H3.
What are the key properties of 1-methyl-2-(2-methylbut-1-enyl)benzene?
1-methyl-2-(2-methylbut-1-enyl)benzene has a molecular weight of 160.26 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylbut-1-enyl)benzene is sourced from PubChem (CID 123992258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).