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

C13H26 — CID 123475804

IUPAC1-methyl-2-(3-methylpentan-3-yl)cyclohexane
SMILESCCC(C)(CC)C1CCCCC1C
InChIInChI=1S/C13H26/c1-5-13(4,6-2)12-10-8-7-9-11(12)3/h11-12H,5-10H2,1-4H3
InChIKeyAZTDKXGUIJOQDB-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds3

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

1-methyl-2-(3-methylpentan-3-yl)cyclohexane (PubChem CID 123475804) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-methyl-2-(3-methylpentan-3-yl)cyclohexane.

Molecular Properties

Compound Name1-methyl-2-(3-methylpentan-3-yl)cyclohexane
PubChem CID123475804
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-methyl-2-(3-methylpentan-3-yl)cyclohexane
SMILESCCC(C)(CC)C1CCCCC1C
InChIInChI=1S/C13H26/c1-5-13(4,6-2)12-10-8-7-9-11(12)3/h11-12H,5-10H2,1-4H3
InChIKeyAZTDKXGUIJOQDB-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
CID 102398260
2-(3-methylpentan-3-yl)bicyclo[11.1.1]pentadecane
CID 123626592
(1R)-1-tert-butyl-2-methylcyclopentane
CID 59875251
1-methyl-2-(trifluoromethyl)cyclohexane
CID 18711399
3-methylpentan-3-ylcycloundecane
CID 123467319
2-(1-amino-2-methylbutan-2-yl)cyclohexan-1-ol
CID 130514709
1,2-dimethylcyclohexane;ethane;propane
CID 142115318
ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate
CID 79298252
(2R)-2-amino-2-(2-methylcyclohexyl)propanoic acid
CID 172766899
2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol
CID 114495525
1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
CID 79811731
2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
CID 62260337

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylpentan-3-yl)cyclohexane?
The IUPAC name of 1-methyl-2-(3-methylpentan-3-yl)cyclohexane (CID 123475804) is 1-methyl-2-(3-methylpentan-3-yl)cyclohexane.
What is the SMILES notation for 1-methyl-2-(3-methylpentan-3-yl)cyclohexane?
The canonical SMILES for 1-methyl-2-(3-methylpentan-3-yl)cyclohexane is CCC(C)(CC)C1CCCCC1C.
What is the InChIKey of 1-methyl-2-(3-methylpentan-3-yl)cyclohexane?
The InChIKey is AZTDKXGUIJOQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-13(4,6-2)12-10-8-7-9-11(12)3/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-methyl-2-(3-methylpentan-3-yl)cyclohexane?
1-methyl-2-(3-methylpentan-3-yl)cyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 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-3-yl)cyclohexane is sourced from PubChem (CID 123475804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).