5,5-dimethyl-2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane

C13H22O3 — CID 146529719

IUPAC5,5-dimethyl-2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane
SMILESC=C1COC(CCC2OCC(C)(C)CO2)C1
InChIInChI=1S/C13H22O3/c1-10-6-11(14-7-10)4-5-12-15-8-13(2,3)9-16-12/h11-12H,1,4-9H2,2-3H3
InChIKeyADWFOFROHIOBQM-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.51
Rot. Bonds3

About 5,5-dimethyl-2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane

5,5-dimethyl-2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane (PubChem CID 146529719) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5,5-dimethyl-2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name5,5-dimethyl-2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane
PubChem CID146529719
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name5,5-dimethyl-2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane
SMILESC=C1COC(CCC2OCC(C)(C)CO2)C1
InChIInChI=1S/C13H22O3/c1-10-6-11(14-7-10)4-5-12-15-8-13(2,3)9-16-12/h11-12H,1,4-9H2,2-3H3
InChIKeyADWFOFROHIOBQM-UHFFFAOYSA-N
XLogP2.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane?
The IUPAC name of 5,5-dimethyl-2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane (CID 146529719) is 5,5-dimethyl-2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane.
What is the SMILES notation for 5,5-dimethyl-2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane?
The canonical SMILES for 5,5-dimethyl-2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane is C=C1COC(CCC2OCC(C)(C)CO2)C1.
What is the InChIKey of 5,5-dimethyl-2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane?
The InChIKey is ADWFOFROHIOBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-10-6-11(14-7-10)4-5-12-15-8-13(2,3)9-16-12/h11-12H,1,4-9H2,2-3H3.
What are the key properties of 5,5-dimethyl-2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane?
5,5-dimethyl-2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane has a molecular weight of 226.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane is sourced from PubChem (CID 146529719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).