5,5-dimethyl-2-(1-methylcyclohexyl)-1,3-dioxane

C13H24O2 — CID 166701832

IUPAC5,5-dimethyl-2-(1-methylcyclohexyl)-1,3-dioxane
SMILESCC1(C)COC(C2(C)CCCCC2)OC1
InChIInChI=1S/C13H24O2/c1-12(2)9-14-11(15-10-12)13(3)7-5-4-6-8-13/h11H,4-10H2,1-3H3
InChIKeyVGOMFMNYTBQTDY-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.36
Rot. Bonds1

About 5,5-dimethyl-2-(1-methylcyclohexyl)-1,3-dioxane

5,5-dimethyl-2-(1-methylcyclohexyl)-1,3-dioxane (PubChem CID 166701832) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 5,5-dimethyl-2-(1-methylcyclohexyl)-1,3-dioxane.

Molecular Properties

Compound Name5,5-dimethyl-2-(1-methylcyclohexyl)-1,3-dioxane
PubChem CID166701832
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name5,5-dimethyl-2-(1-methylcyclohexyl)-1,3-dioxane
SMILESCC1(C)COC(C2(C)CCCCC2)OC1
InChIInChI=1S/C13H24O2/c1-12(2)9-14-11(15-10-12)13(3)7-5-4-6-8-13/h11H,4-10H2,1-3H3
InChIKeyVGOMFMNYTBQTDY-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8,15-Dioxadispiro[5.2.59.26]hexadecane
CID 44567784
2-Cyclohexyl-1,3-dioxane
CID 11344247
2-Hexyl-5-methyl-5-propyl-1,3-dioxane
CID 95889
2-[2-(4-Tert-butyl-1-fluorocyclohexyl)ethyl]-1,3-dioxane
CID 176437282
2-(2-Cyclohexylethyl)-1,3-dioxane
CID 13801295
2-(4-Fluorocyclohexyl)-5-pentyl-1,3-dioxane
CID 189247
5-Ethyl-2-(4-fluorocyclohexyl)-1,3-dioxane
CID 70491938
2-(4-Fluorocyclohexyl)-5-hexyl-1,3-dioxane
CID 70492349
2-(4-Fluorocyclohexyl)-5-propyl-1,3-dioxane
CID 70492415
2-(4-Fluorocyclohexyl)-5-heptyl-1,3-dioxane
CID 70492556
5-Butyl-2-(4-fluorocyclohexyl)-1,3-dioxane
CID 70493724
5-Methyl-2-(3,4,5-trifluorocyclohexyl)-1,3-dioxane
CID 117705464

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(1-methylcyclohexyl)-1,3-dioxane?
The IUPAC name of 5,5-dimethyl-2-(1-methylcyclohexyl)-1,3-dioxane (CID 166701832) is 5,5-dimethyl-2-(1-methylcyclohexyl)-1,3-dioxane.
What is the SMILES notation for 5,5-dimethyl-2-(1-methylcyclohexyl)-1,3-dioxane?
The canonical SMILES for 5,5-dimethyl-2-(1-methylcyclohexyl)-1,3-dioxane is CC1(C)COC(C2(C)CCCCC2)OC1.
What is the InChIKey of 5,5-dimethyl-2-(1-methylcyclohexyl)-1,3-dioxane?
The InChIKey is VGOMFMNYTBQTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-12(2)9-14-11(15-10-12)13(3)7-5-4-6-8-13/h11H,4-10H2,1-3H3.
What are the key properties of 5,5-dimethyl-2-(1-methylcyclohexyl)-1,3-dioxane?
5,5-dimethyl-2-(1-methylcyclohexyl)-1,3-dioxane has a molecular weight of 212.33 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(1-methylcyclohexyl)-1,3-dioxane is sourced from PubChem (CID 166701832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).