1-methyl-2-(2-methylpropyl)cyclohexane;nonane

C20H42 — CID 142044958

IUPAC1-methyl-2-(2-methylpropyl)cyclohexane;nonane
SMILESCC(C)CC1CCCCC1C.CCCCCCCCC
InChIInChI=1S/C11H22.C9H20/c1-9(2)8-11-7-5-4-6-10(11)3;1-3-5-7-9-8-6-4-2/h9-11H,4-8H2,1-3H3;3-9H2,1-2H3
InChIKeyCTWFZSSUUZGAHK-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.62
Rot. Bonds8

About 1-methyl-2-(2-methylpropyl)cyclohexane;nonane

1-methyl-2-(2-methylpropyl)cyclohexane;nonane (PubChem CID 142044958) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 1-methyl-2-(2-methylpropyl)cyclohexane;nonane.

Molecular Properties

Compound Name1-methyl-2-(2-methylpropyl)cyclohexane;nonane
PubChem CID142044958
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name1-methyl-2-(2-methylpropyl)cyclohexane;nonane
SMILESCC(C)CC1CCCCC1C.CCCCCCCCC
InChIInChI=1S/C11H22.C9H20/c1-9(2)8-11-7-5-4-6-10(11)3;1-3-5-7-9-8-6-4-2/h9-11H,4-8H2,1-3H3;3-9H2,1-2H3
InChIKeyCTWFZSSUUZGAHK-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-decyl-2-methylcyclohexane
CID 123746851
N-[(2-methylcyclohexyl)methyl]nonan-2-amine
CID 63455367
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
(1S)-1-butyl-2-methylcyclohexane
CID 145054487
1-methyl-2-nonylcycloheptane;2-methylpentanal
CID 174407340
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
1-(2,3-dimethylbutyl)-2-methylcycloheptane
CID 123895623
trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719
(2S)-2-methyl-3-[(1S,2S)-2-methylcyclohexyl]propanal
CID 89224154
1-butyl-2-methylcyclopentane;ethane
CID 143661628
(1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane
CID 55253031
1-butan-2-yl-2-methylcyclohexane;hexane
CID 143477075

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylpropyl)cyclohexane;nonane?
The IUPAC name of 1-methyl-2-(2-methylpropyl)cyclohexane;nonane (CID 142044958) is 1-methyl-2-(2-methylpropyl)cyclohexane;nonane.
What is the SMILES notation for 1-methyl-2-(2-methylpropyl)cyclohexane;nonane?
The canonical SMILES for 1-methyl-2-(2-methylpropyl)cyclohexane;nonane is CC(C)CC1CCCCC1C.CCCCCCCCC.
What is the InChIKey of 1-methyl-2-(2-methylpropyl)cyclohexane;nonane?
The InChIKey is CTWFZSSUUZGAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C9H20/c1-9(2)8-11-7-5-4-6-10(11)3;1-3-5-7-9-8-6-4-2/h9-11H,4-8H2,1-3H3;3-9H2,1-2H3.
What are the key properties of 1-methyl-2-(2-methylpropyl)cyclohexane;nonane?
1-methyl-2-(2-methylpropyl)cyclohexane;nonane has a molecular weight of 282.56 g/mol, XLogP of 7.62, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylpropyl)cyclohexane;nonane is sourced from PubChem (CID 142044958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).