5-ethyl-5-methyl-2-(1-methylcyclohexyl)-1,3-dioxane

C14H26O2 — CID 166701883

IUPAC5-ethyl-5-methyl-2-(1-methylcyclohexyl)-1,3-dioxane
SMILESCCC1(C)COC(C2(C)CCCCC2)OC1
InChIInChI=1S/C14H26O2/c1-4-13(2)10-15-12(16-11-13)14(3)8-6-5-7-9-14/h12H,4-11H2,1-3H3
InChIKeyJPSNQVUIJWJAHY-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.75
Rot. Bonds2

About 5-ethyl-5-methyl-2-(1-methylcyclohexyl)-1,3-dioxane

5-ethyl-5-methyl-2-(1-methylcyclohexyl)-1,3-dioxane (PubChem CID 166701883) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-(1-methylcyclohexyl)-1,3-dioxane.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-(1-methylcyclohexyl)-1,3-dioxane
PubChem CID166701883
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name5-ethyl-5-methyl-2-(1-methylcyclohexyl)-1,3-dioxane
SMILESCCC1(C)COC(C2(C)CCCCC2)OC1
InChIInChI=1S/C14H26O2/c1-4-13(2)10-15-12(16-11-13)14(3)8-6-5-7-9-14/h12H,4-11H2,1-3H3
InChIKeyJPSNQVUIJWJAHY-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-(1-methylcyclohexyl)-1,3-dioxane?
The IUPAC name of 5-ethyl-5-methyl-2-(1-methylcyclohexyl)-1,3-dioxane (CID 166701883) is 5-ethyl-5-methyl-2-(1-methylcyclohexyl)-1,3-dioxane.
What is the SMILES notation for 5-ethyl-5-methyl-2-(1-methylcyclohexyl)-1,3-dioxane?
The canonical SMILES for 5-ethyl-5-methyl-2-(1-methylcyclohexyl)-1,3-dioxane is CCC1(C)COC(C2(C)CCCCC2)OC1.
What is the InChIKey of 5-ethyl-5-methyl-2-(1-methylcyclohexyl)-1,3-dioxane?
The InChIKey is JPSNQVUIJWJAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-13(2)10-15-12(16-11-13)14(3)8-6-5-7-9-14/h12H,4-11H2,1-3H3.
What are the key properties of 5-ethyl-5-methyl-2-(1-methylcyclohexyl)-1,3-dioxane?
5-ethyl-5-methyl-2-(1-methylcyclohexyl)-1,3-dioxane has a molecular weight of 226.36 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-(1-methylcyclohexyl)-1,3-dioxane is sourced from PubChem (CID 166701883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).