4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane

C11H22O2 — CID 170568146

IUPAC4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane
SMILESCCC(C)C(C)C1OCCC(C)O1
InChIInChI=1S/C11H22O2/c1-5-8(2)10(4)11-12-7-6-9(3)13-11/h8-11H,5-7H2,1-4H3
InChIKeyHILLAJACMZPLFF-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.82
Rot. Bonds3

About 4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane

4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane (PubChem CID 170568146) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane
PubChem CID170568146
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane
SMILESCCC(C)C(C)C1OCCC(C)O1
InChIInChI=1S/C11H22O2/c1-5-8(2)10(4)11-12-7-6-9(3)13-11/h8-11H,5-7H2,1-4H3
InChIKeyHILLAJACMZPLFF-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane?
The IUPAC name of 4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane (CID 170568146) is 4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane.
What is the SMILES notation for 4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane?
The canonical SMILES for 4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane is CCC(C)C(C)C1OCCC(C)O1.
What is the InChIKey of 4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane?
The InChIKey is HILLAJACMZPLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-8(2)10(4)11-12-7-6-9(3)13-11/h8-11H,5-7H2,1-4H3.
What are the key properties of 4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane?
4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane has a molecular weight of 186.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane is sourced from PubChem (CID 170568146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).