4-cyclohexyl-4-methyloxane

C12H22O — CID 58667675

IUPAC4-cyclohexyl-4-methyloxane
SMILESCC1(C2CCCCC2)CCOCC1
InChIInChI=1S/C12H22O/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKeyWGBCEPHEUOKFIR-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.38
Rot. Bonds1

About 4-cyclohexyl-4-methyloxane

4-cyclohexyl-4-methyloxane (PubChem CID 58667675) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-cyclohexyl-4-methyloxane.

Molecular Properties

Compound Name4-cyclohexyl-4-methyloxane
PubChem CID58667675
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4-cyclohexyl-4-methyloxane
SMILESCC1(C2CCCCC2)CCOCC1
InChIInChI=1S/C12H22O/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKeyWGBCEPHEUOKFIR-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-cyclohexyl-4-methyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methylcyclopentyl)cyclohexane
CID 13217819
4-(4-methyloxan-4-yl)piperidine
CID 83906763
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
5-cyclohexyl-5-methyl-1,3-dioxane
CID 70232095
(5S)-1-methylbicyclo[3.2.0]heptane
CID 142053045
6-cycloundecyl-6-methyldiazecane
CID 126582920
4-cycloheptyloxepan-4-amine
CID 82931181
8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
CID 58800826
2-cyclopentyl-2-methyl-1,3-dioxane
CID 45098524
1,4-dimethyl-13,15-dioxabicyclo[10.5.0]heptadecane
CID 70571344
3-cyclohexyloxolan-3-amine
CID 82936472
(3-chloro-1-methylcyclopentyl)cycloheptane
CID 116540220

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-methyloxane?
The IUPAC name of 4-cyclohexyl-4-methyloxane (CID 58667675) is 4-cyclohexyl-4-methyloxane.
What is the SMILES notation for 4-cyclohexyl-4-methyloxane?
The canonical SMILES for 4-cyclohexyl-4-methyloxane is CC1(C2CCCCC2)CCOCC1.
What is the InChIKey of 4-cyclohexyl-4-methyloxane?
The InChIKey is WGBCEPHEUOKFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11/h11H,2-10H2,1H3.
What are the key properties of 4-cyclohexyl-4-methyloxane?
4-cyclohexyl-4-methyloxane has a molecular weight of 182.31 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-methyloxane is sourced from PubChem (CID 58667675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).