5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane

C11H20O3 — CID 167037210

IUPAC5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane
SMILESCC1CCC(CC2COCOC2)OC1
InChIInChI=1S/C11H20O3/c1-9-2-3-11(14-5-9)4-10-6-12-8-13-7-10/h9-11H,2-8H2,1H3
InChIKeyMXSGKKZSYZZBTJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.81
Rot. Bonds2

About 5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane

5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane (PubChem CID 167037210) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane.

Molecular Properties

Compound Name5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane
PubChem CID167037210
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane
SMILESCC1CCC(CC2COCOC2)OC1
InChIInChI=1S/C11H20O3/c1-9-2-3-11(14-5-9)4-10-6-12-8-13-7-10/h9-11H,2-8H2,1H3
InChIKeyMXSGKKZSYZZBTJ-UHFFFAOYSA-N
XLogP1.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane?
The IUPAC name of 5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane (CID 167037210) is 5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane.
What is the SMILES notation for 5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane?
The canonical SMILES for 5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane is CC1CCC(CC2COCOC2)OC1.
What is the InChIKey of 5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane?
The InChIKey is MXSGKKZSYZZBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9-2-3-11(14-5-9)4-10-6-12-8-13-7-10/h9-11H,2-8H2,1H3.
What are the key properties of 5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane?
5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane has a molecular weight of 200.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane is sourced from PubChem (CID 167037210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).