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

C11H18O3 — CID 146529703

IUPAC2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane
SMILESC=C1COC(CCC2OCCCO2)C1
InChIInChI=1S/C11H18O3/c1-9-7-10(14-8-9)3-4-11-12-5-2-6-13-11/h10-11H,1-8H2
InChIKeyIBZXPAJGVZNRGI-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.87
Rot. Bonds3

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

2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane (PubChem CID 146529703) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane
PubChem CID146529703
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane
SMILESC=C1COC(CCC2OCCCO2)C1
InChIInChI=1S/C11H18O3/c1-9-7-10(14-8-9)3-4-11-12-5-2-6-13-11/h10-11H,1-8H2
InChIKeyIBZXPAJGVZNRGI-UHFFFAOYSA-N
XLogP1.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.87
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 2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane (CID 146529703) is 2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane is C=C1COC(CCC2OCCCO2)C1.
What is the InChIKey of 2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane?
The InChIKey is IBZXPAJGVZNRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-9-7-10(14-8-9)3-4-11-12-5-2-6-13-11/h10-11H,1-8H2.
What are the key properties of 2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane?
2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane has a molecular weight of 198.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylideneoxolan-2-yl)ethyl]-1,3-dioxane is sourced from PubChem (CID 146529703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).