6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane

C12H16O6 — CID 59502485

IUPAC6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane
SMILESC1OC1COC1C(OCC2CO2)C2OC1C1OC21
InChIInChI=1S/C12H16O6/c1-5(13-1)3-15-7-8(16-4-6-2-14-6)10-12-11(18-12)9(7)17-10/h5-12H,1-4H2
InChIKeyNTDOBWKXZSMGCX-UHFFFAOYSA-N
MW256.25 g/mol
LogP-0.90
Rot. Bonds6

About 6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane

6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane (PubChem CID 59502485) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is 6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane
PubChem CID59502485
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane
SMILESC1OC1COC1C(OCC2CO2)C2OC1C1OC21
InChIInChI=1S/C12H16O6/c1-5(13-1)3-15-7-8(16-4-6-2-14-6)10-12-11(18-12)9(7)17-10/h5-12H,1-4H2
InChIKeyNTDOBWKXZSMGCX-UHFFFAOYSA-N
XLogP-0.90
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane?
The IUPAC name of 6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane (CID 59502485) is 6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for 6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for 6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane is C1OC1COC1C(OCC2CO2)C2OC1C1OC21.
What is the InChIKey of 6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane?
The InChIKey is NTDOBWKXZSMGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1-5(13-1)3-15-7-8(16-4-6-2-14-6)10-12-11(18-12)9(7)17-10/h5-12H,1-4H2.
What are the key properties of 6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane?
6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane has a molecular weight of 256.25 g/mol, XLogP of -0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 59502485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).