methane;1-methyl-2-(2-methylpropyl)benzene

C12H20 — CID 142148493

IUPACmethane;1-methyl-2-(2-methylpropyl)benzene
SMILESC.Cc1ccccc1CC(C)C
InChIInChI=1S/C11H16.CH4/c1-9(2)8-11-7-5-4-6-10(11)3;/h4-7,9H,8H2,1-3H3;1H4
InChIKeyIYMSRTDJJCTIIY-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.83
Rot. Bonds2

About methane;1-methyl-2-(2-methylpropyl)benzene

methane;1-methyl-2-(2-methylpropyl)benzene (PubChem CID 142148493) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is methane;1-methyl-2-(2-methylpropyl)benzene.

Molecular Properties

Compound Namemethane;1-methyl-2-(2-methylpropyl)benzene
PubChem CID142148493
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Namemethane;1-methyl-2-(2-methylpropyl)benzene
SMILESC.Cc1ccccc1CC(C)C
InChIInChI=1S/C11H16.CH4/c1-9(2)8-11-7-5-4-6-10(11)3;/h4-7,9H,8H2,1-3H3;1H4
InChIKeyIYMSRTDJJCTIIY-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
1-(2-chloro-4-methylpentyl)-2-methylbenzene
CID 63544752
5-methyl-1-(2-methylphenyl)hexan-2-amine
CID 61077626
1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene
CID 139907976
1-methyl-2-(2-methylbut-3-ynyl)benzene
CID 123657846
CID 67672299
CID 67672299
4-methyl-3-[(2-methylphenyl)methyl]pentanenitrile
CID 570616
2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81017881
2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline
CID 59456562
1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene
CID 66040938
1-[2-(chloromethyl)-3-methylbutyl]-2-methylbenzene
CID 66036572
2-methoxy-1-methyl-3-(2-methylpropyl)benzene
CID 14665596

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-2-(2-methylpropyl)benzene?
The IUPAC name of methane;1-methyl-2-(2-methylpropyl)benzene (CID 142148493) is methane;1-methyl-2-(2-methylpropyl)benzene.
What is the SMILES notation for methane;1-methyl-2-(2-methylpropyl)benzene?
The canonical SMILES for methane;1-methyl-2-(2-methylpropyl)benzene is C.Cc1ccccc1CC(C)C.
What is the InChIKey of methane;1-methyl-2-(2-methylpropyl)benzene?
The InChIKey is IYMSRTDJJCTIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.CH4/c1-9(2)8-11-7-5-4-6-10(11)3;/h4-7,9H,8H2,1-3H3;1H4.
What are the key properties of methane;1-methyl-2-(2-methylpropyl)benzene?
methane;1-methyl-2-(2-methylpropyl)benzene has a molecular weight of 164.29 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-2-(2-methylpropyl)benzene is sourced from PubChem (CID 142148493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).