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

C9H12O4 — CID 59502482

IUPAC6-(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane
SMILESC1OC1COC1CC2OC1C1OC21
InChIInChI=1S/C9H12O4/c1-5(11-3-4-2-10-4)7-9-8(13-9)6(1)12-7/h4-9H,1-3H2
InChIKeyPFYCZPCIMMNZGP-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.29
Rot. Bonds3

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

6-(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane (PubChem CID 59502482) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 6-(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name6-(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane
PubChem CID59502482
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name6-(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane
SMILESC1OC1COC1CC2OC1C1OC21
InChIInChI=1S/C9H12O4/c1-5(11-3-4-2-10-4)7-9-8(13-9)6(1)12-7/h4-9H,1-3H2
InChIKeyPFYCZPCIMMNZGP-UHFFFAOYSA-N
XLogP-0.29
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane?
The IUPAC name of 6-(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane (CID 59502482) is 6-(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for 6-(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for 6-(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane is C1OC1COC1CC2OC1C1OC21.
What is the InChIKey of 6-(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane?
The InChIKey is PFYCZPCIMMNZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-5(11-3-4-2-10-4)7-9-8(13-9)6(1)12-7/h4-9H,1-3H2.
What are the key properties of 6-(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane?
6-(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane has a molecular weight of 184.19 g/mol, XLogP of -0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 59502482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).