1-methyl-2-(4-methylhexan-3-yl)cyclohexane

C14H28 — CID 91437485

IUPAC1-methyl-2-(4-methylhexan-3-yl)cyclohexane
SMILESCCC(C)C(CC)C1CCCCC1C
InChIInChI=1S/C14H28/c1-5-11(3)13(6-2)14-10-8-7-9-12(14)4/h11-14H,5-10H2,1-4H3
InChIKeyWZANBDCKGVBUED-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds4

About 1-methyl-2-(4-methylhexan-3-yl)cyclohexane

1-methyl-2-(4-methylhexan-3-yl)cyclohexane (PubChem CID 91437485) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-methyl-2-(4-methylhexan-3-yl)cyclohexane.

Molecular Properties

Compound Name1-methyl-2-(4-methylhexan-3-yl)cyclohexane
PubChem CID91437485
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-methyl-2-(4-methylhexan-3-yl)cyclohexane
SMILESCCC(C)C(CC)C1CCCCC1C
InChIInChI=1S/C14H28/c1-5-11(3)13(6-2)14-10-8-7-9-12(14)4/h11-14H,5-10H2,1-4H3
InChIKeyWZANBDCKGVBUED-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-methylcyclohexyl)propan-1-amine
CID 79307565
1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434
1-butan-2-yl-2-methylcyclohexane;hexane
CID 143477075
1,2-bis(2-methylpentan-3-yl)cyclopentane
CID 91097416
1-(4-butan-2-ylnonan-2-yl)-2-methylcycloheptane
CID 123447024
1-(2-methylcyclopentyl)propylphosphane
CID 176966789
1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane
CID 123628230
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
(2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol
CID 129109393
[(3R)-3-methylpentan-2-yl]cyclopentane
CID 144516432
N-methyl-1-[(2S)-2-methylcyclohexyl]ethanamine
CID 89083214

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylhexan-3-yl)cyclohexane?
The IUPAC name of 1-methyl-2-(4-methylhexan-3-yl)cyclohexane (CID 91437485) is 1-methyl-2-(4-methylhexan-3-yl)cyclohexane.
What is the SMILES notation for 1-methyl-2-(4-methylhexan-3-yl)cyclohexane?
The canonical SMILES for 1-methyl-2-(4-methylhexan-3-yl)cyclohexane is CCC(C)C(CC)C1CCCCC1C.
What is the InChIKey of 1-methyl-2-(4-methylhexan-3-yl)cyclohexane?
The InChIKey is WZANBDCKGVBUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-5-11(3)13(6-2)14-10-8-7-9-12(14)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-methyl-2-(4-methylhexan-3-yl)cyclohexane?
1-methyl-2-(4-methylhexan-3-yl)cyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylhexan-3-yl)cyclohexane is sourced from PubChem (CID 91437485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).