6-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]-3,8-dioxatricyclo[3.2.1.02,4]octane

C13H20O6 — CID 59502481

IUPAC6-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]-3,8-dioxatricyclo[3.2.1.02,4]octane
SMILESC(COCC1CO1)OCCOC1CC2OC1C1OC21
InChIInChI=1S/C13H20O6/c1(2-15-6-8-7-17-8)14-3-4-16-9-5-10-12-13(19-12)11(9)18-10/h8-13H,1-7H2
InChIKeyXCWUYLGLPOEICE-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.26
Rot. Bonds9

About 6-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]-3,8-dioxatricyclo[3.2.1.02,4]octane

6-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]-3,8-dioxatricyclo[3.2.1.02,4]octane (PubChem CID 59502481) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]-3,8-dioxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name6-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]-3,8-dioxatricyclo[3.2.1.02,4]octane
PubChem CID59502481
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name6-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]-3,8-dioxatricyclo[3.2.1.02,4]octane
SMILESC(COCC1CO1)OCCOC1CC2OC1C1OC21
InChIInChI=1S/C13H20O6/c1(2-15-6-8-7-17-8)14-3-4-16-9-5-10-12-13(19-12)11(9)18-10/h8-13H,1-7H2
InChIKeyXCWUYLGLPOEICE-UHFFFAOYSA-N
XLogP-0.26
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]-3,8-dioxatricyclo[3.2.1.02,4]octane?
The IUPAC name of 6-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]-3,8-dioxatricyclo[3.2.1.02,4]octane (CID 59502481) is 6-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]-3,8-dioxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for 6-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]-3,8-dioxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for 6-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]-3,8-dioxatricyclo[3.2.1.02,4]octane is C(COCC1CO1)OCCOC1CC2OC1C1OC21.
What is the InChIKey of 6-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]-3,8-dioxatricyclo[3.2.1.02,4]octane?
The InChIKey is XCWUYLGLPOEICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O6/c1(2-15-6-8-7-17-8)14-3-4-16-9-5-10-12-13(19-12)11(9)18-10/h8-13H,1-7H2.
What are the key properties of 6-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]-3,8-dioxatricyclo[3.2.1.02,4]octane?
6-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]-3,8-dioxatricyclo[3.2.1.02,4]octane has a molecular weight of 272.30 g/mol, XLogP of -0.26, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]-3,8-dioxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 59502481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).