3,8-dioxatricyclo[3.2.1.02,4]octane

C6H8O2 — CID 15647432

IUPAC3,8-dioxatricyclo[3.2.1.02,4]octane
SMILESC1CC2OC1C1OC21
InChIInChI=1S/C6H8O2/c1-2-4-6-5(8-6)3(1)7-4/h3-6H,1-2H2
InChIKeyKLBCNXTVEQUQDA-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.31
Rot. Bonds

About 3,8-dioxatricyclo[3.2.1.02,4]octane

3,8-dioxatricyclo[3.2.1.02,4]octane (PubChem CID 15647432) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 3,8-dioxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name3,8-dioxatricyclo[3.2.1.02,4]octane
PubChem CID15647432
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name3,8-dioxatricyclo[3.2.1.02,4]octane
SMILESC1CC2OC1C1OC21
InChIInChI=1S/C6H8O2/c1-2-4-6-5(8-6)3(1)7-4/h3-6H,1-2H2
InChIKeyKLBCNXTVEQUQDA-UHFFFAOYSA-N
XLogP0.31
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,8-dioxatricyclo[3.2.1.02,4]octane?
The IUPAC name of 3,8-dioxatricyclo[3.2.1.02,4]octane (CID 15647432) is 3,8-dioxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for 3,8-dioxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for 3,8-dioxatricyclo[3.2.1.02,4]octane is C1CC2OC1C1OC21.
What is the InChIKey of 3,8-dioxatricyclo[3.2.1.02,4]octane?
The InChIKey is KLBCNXTVEQUQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-4-6-5(8-6)3(1)7-4/h3-6H,1-2H2.
What are the key properties of 3,8-dioxatricyclo[3.2.1.02,4]octane?
3,8-dioxatricyclo[3.2.1.02,4]octane has a molecular weight of 112.13 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dioxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 15647432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).