5-cyclohexyl-5-methyl-1,3-dioxane

C11H20O2 — CID 70232095

IUPAC5-cyclohexyl-5-methyl-1,3-dioxane
SMILESCC1(C2CCCCC2)COCOC1
InChIInChI=1S/C11H20O2/c1-11(7-12-9-13-8-11)10-5-3-2-4-6-10/h10H,2-9H2,1H3
InChIKeyHLLYLMWIGAESBQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds1

About 5-cyclohexyl-5-methyl-1,3-dioxane

5-cyclohexyl-5-methyl-1,3-dioxane (PubChem CID 70232095) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-cyclohexyl-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name5-cyclohexyl-5-methyl-1,3-dioxane
PubChem CID70232095
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-cyclohexyl-5-methyl-1,3-dioxane
SMILESCC1(C2CCCCC2)COCOC1
InChIInChI=1S/C11H20O2/c1-11(7-12-9-13-8-11)10-5-3-2-4-6-10/h10H,2-9H2,1H3
InChIKeyHLLYLMWIGAESBQ-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-5-methyl-1,3-dioxane?
The IUPAC name of 5-cyclohexyl-5-methyl-1,3-dioxane (CID 70232095) is 5-cyclohexyl-5-methyl-1,3-dioxane.
What is the SMILES notation for 5-cyclohexyl-5-methyl-1,3-dioxane?
The canonical SMILES for 5-cyclohexyl-5-methyl-1,3-dioxane is CC1(C2CCCCC2)COCOC1.
What is the InChIKey of 5-cyclohexyl-5-methyl-1,3-dioxane?
The InChIKey is HLLYLMWIGAESBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(7-12-9-13-8-11)10-5-3-2-4-6-10/h10H,2-9H2,1H3.
What are the key properties of 5-cyclohexyl-5-methyl-1,3-dioxane?
5-cyclohexyl-5-methyl-1,3-dioxane has a molecular weight of 184.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-5-methyl-1,3-dioxane is sourced from PubChem (CID 70232095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).