cyclohexanone;1,3-dioxane

C10H18O3 — CID 158971255

IUPACcyclohexanone;1,3-dioxane
SMILESC1COCOC1.O=C1CCCCC1
InChIInChI=1S/C6H10O.C4H8O2/c7-6-4-2-1-3-5-6;1-2-5-4-6-3-1/h1-5H2;1-4H2
InChIKeyJNVSHALFPVGANN-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.90
Rot. Bonds

About cyclohexanone;1,3-dioxane

cyclohexanone;1,3-dioxane (PubChem CID 158971255) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is cyclohexanone;1,3-dioxane.

Molecular Properties

Compound Namecyclohexanone;1,3-dioxane
PubChem CID158971255
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namecyclohexanone;1,3-dioxane
SMILESC1COCOC1.O=C1CCCCC1
InChIInChI=1S/C6H10O.C4H8O2/c7-6-4-2-1-3-5-6;1-2-5-4-6-3-1/h1-5H2;1-4H2
InChIKeyJNVSHALFPVGANN-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexanone;1,3-dioxane?
The IUPAC name of cyclohexanone;1,3-dioxane (CID 158971255) is cyclohexanone;1,3-dioxane.
What is the SMILES notation for cyclohexanone;1,3-dioxane?
The canonical SMILES for cyclohexanone;1,3-dioxane is C1COCOC1.O=C1CCCCC1.
What is the InChIKey of cyclohexanone;1,3-dioxane?
The InChIKey is JNVSHALFPVGANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C4H8O2/c7-6-4-2-1-3-5-6;1-2-5-4-6-3-1/h1-5H2;1-4H2.
What are the key properties of cyclohexanone;1,3-dioxane?
cyclohexanone;1,3-dioxane has a molecular weight of 186.25 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;1,3-dioxane is sourced from PubChem (CID 158971255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).