8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one

C11H16O4 — CID 58868408

IUPAC8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
SMILESCOC1C2CC(C1OC)C1C(=O)OCC21
InChIInChI=1S/C11H16O4/c1-13-9-5-3-6(10(9)14-2)8-7(5)4-15-11(8)12/h5-10H,3-4H2,1-2H3
InChIKeyMADYYDQDFDBGJP-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.46
Rot. Bonds2

About 8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one

8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 58868408) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
PubChem CID58868408
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
SMILESCOC1C2CC(C1OC)C1C(=O)OCC21
InChIInChI=1S/C11H16O4/c1-13-9-5-3-6(10(9)14-2)8-7(5)4-15-11(8)12/h5-10H,3-4H2,1-2H3
InChIKeyMADYYDQDFDBGJP-UHFFFAOYSA-N
XLogP0.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of 8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one (CID 58868408) is 8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for 8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for 8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one is COC1C2CC(C1OC)C1C(=O)OCC21.
What is the InChIKey of 8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is MADYYDQDFDBGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-13-9-5-3-6(10(9)14-2)8-7(5)4-15-11(8)12/h5-10H,3-4H2,1-2H3.
What are the key properties of 8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one?
8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 212.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 58868408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).