1-methyl-2-(3-methylpentan-2-yl)benzene

C13H20 — CID 23555669

IUPAC1-methyl-2-(3-methylpentan-2-yl)benzene
SMILESCCC(C)C(C)c1ccccc1C
InChIInChI=1S/C13H20/c1-5-10(2)12(4)13-9-7-6-8-11(13)3/h6-10,12H,5H2,1-4H3
InChIKeySTIDUJHPQPMBPB-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.14
Rot. Bonds3

About 1-methyl-2-(3-methylpentan-2-yl)benzene

1-methyl-2-(3-methylpentan-2-yl)benzene (PubChem CID 23555669) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-methyl-2-(3-methylpentan-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-2-(3-methylpentan-2-yl)benzene
PubChem CID23555669
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-methyl-2-(3-methylpentan-2-yl)benzene
SMILESCCC(C)C(C)c1ccccc1C
InChIInChI=1S/C13H20/c1-5-10(2)12(4)13-9-7-6-8-11(13)3/h6-10,12H,5H2,1-4H3
InChIKeySTIDUJHPQPMBPB-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methyl-4-(2-methylphenyl)pentanamide
CID 175805571
N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine
CID 81015304
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
N-ethyl-N-[(1R)-2-methyl-1-(2-methylphenyl)butyl]formamide
CID 89171234
2-methyl-1-(2-methylphenyl)pentan-1-amine
CID 115794811
1-(2,3-dimethylphenyl)-2-methylbutan-1-ol
CID 63719064
(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
CID 130806142
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377
1-(3-iodoundecan-2-yl)-2-methylbenzene
CID 70542707
1-methyl-2-[2-methyl-1-(2-methylphenyl)propyl]benzene
CID 14267704
1-[(1S)-2-methyl-1-(2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171305477

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylpentan-2-yl)benzene?
The IUPAC name of 1-methyl-2-(3-methylpentan-2-yl)benzene (CID 23555669) is 1-methyl-2-(3-methylpentan-2-yl)benzene.
What is the SMILES notation for 1-methyl-2-(3-methylpentan-2-yl)benzene?
The canonical SMILES for 1-methyl-2-(3-methylpentan-2-yl)benzene is CCC(C)C(C)c1ccccc1C.
What is the InChIKey of 1-methyl-2-(3-methylpentan-2-yl)benzene?
The InChIKey is STIDUJHPQPMBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-5-10(2)12(4)13-9-7-6-8-11(13)3/h6-10,12H,5H2,1-4H3.
What are the key properties of 1-methyl-2-(3-methylpentan-2-yl)benzene?
1-methyl-2-(3-methylpentan-2-yl)benzene has a molecular weight of 176.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylpentan-2-yl)benzene is sourced from PubChem (CID 23555669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).