1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane

C15H28 — CID 19860313

IUPAC1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
SMILESCC1CCCC(CC2CCCC(C)C2)C1
InChIInChI=1S/C15H28/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15/h12-15H,3-11H2,1-2H3
InChIKeyUGMVQCFOJADLGB-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.03
Rot. Bonds2

About 1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane

1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane (PubChem CID 19860313) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
PubChem CID19860313
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
SMILESCC1CCCC(CC2CCCC(C)C2)C1
InChIInChI=1S/C15H28/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15/h12-15H,3-11H2,1-2H3
InChIKeyUGMVQCFOJADLGB-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310
2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 90208733
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
(3-methylcyclohexyl)methanamine
CID 18361468
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane
CID 158565558
(3S)-1-(methoxymethyl)-3-methylcyclohexane
CID 142198036
(1R)-1,3-dimethylcyclohexane
CID 12594306
5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one
CID 104687080
1-[(3R)-3-methylcyclohexyl]propan-2-one
CID 130348727

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane?
The IUPAC name of 1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane (CID 19860313) is 1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane.
What is the SMILES notation for 1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane?
The canonical SMILES for 1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane is CC1CCCC(CC2CCCC(C)C2)C1.
What is the InChIKey of 1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane?
The InChIKey is UGMVQCFOJADLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane?
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane has a molecular weight of 208.39 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane is sourced from PubChem (CID 19860313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).