6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane

C9H14O3 — CID 22123812

IUPAC6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane
SMILESCOC1C2CC(C1OC)C1OC21
InChIInChI=1S/C9H14O3/c1-10-6-4-3-5(7(6)11-2)9-8(4)12-9/h4-9H,3H2,1-2H3
InChIKeyILJPVWNVBYIOIP-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.43
Rot. Bonds2

About 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane

6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane (PubChem CID 22123812) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane
PubChem CID22123812
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane
SMILESCOC1C2CC(C1OC)C1OC21
InChIInChI=1S/C9H14O3/c1-10-6-4-3-5(7(6)11-2)9-8(4)12-9/h4-9H,3H2,1-2H3
InChIKeyILJPVWNVBYIOIP-UHFFFAOYSA-N
XLogP0.43
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane?
The IUPAC name of 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane (CID 22123812) is 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane is COC1C2CC(C1OC)C1OC21.
What is the InChIKey of 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane?
The InChIKey is ILJPVWNVBYIOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-10-6-4-3-5(7(6)11-2)9-8(4)12-9/h4-9H,3H2,1-2H3.
What are the key properties of 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane?
6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane has a molecular weight of 170.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 22123812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).