2-cyclohexyl-1,4-dioxine

C10H14O2 — CID 154003167

IUPAC2-cyclohexyl-1,4-dioxine
SMILESC1=COC(C2CCCCC2)=CO1
InChIInChI=1S/C10H14O2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h6-9H,1-5H2
InChIKeyNVKXBCRYIXQUSE-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.93
Rot. Bonds1

About 2-cyclohexyl-1,4-dioxine

2-cyclohexyl-1,4-dioxine (PubChem CID 154003167) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-cyclohexyl-1,4-dioxine.

Molecular Properties

Compound Name2-cyclohexyl-1,4-dioxine
PubChem CID154003167
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-cyclohexyl-1,4-dioxine
SMILESC1=COC(C2CCCCC2)=CO1
InChIInChI=1S/C10H14O2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h6-9H,1-5H2
InChIKeyNVKXBCRYIXQUSE-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,4-dioxine?
The IUPAC name of 2-cyclohexyl-1,4-dioxine (CID 154003167) is 2-cyclohexyl-1,4-dioxine.
What is the SMILES notation for 2-cyclohexyl-1,4-dioxine?
The canonical SMILES for 2-cyclohexyl-1,4-dioxine is C1=COC(C2CCCCC2)=CO1.
What is the InChIKey of 2-cyclohexyl-1,4-dioxine?
The InChIKey is NVKXBCRYIXQUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h6-9H,1-5H2.
What are the key properties of 2-cyclohexyl-1,4-dioxine?
2-cyclohexyl-1,4-dioxine has a molecular weight of 166.22 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,4-dioxine is sourced from PubChem (CID 154003167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).