4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one

C7H8O3 — CID 14622133

IUPAC4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C1OC2CC3CC1C2O3
InChIInChI=1S/C7H8O3/c8-7-4-1-3-2-5(10-7)6(4)9-3/h3-6H,1-2H2
InChIKeyOMRNRHKURDNAJA-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.09
Rot. Bonds

About 4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one

4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one (PubChem CID 14622133) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one.

Molecular Properties

Compound Name4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one
PubChem CID14622133
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C1OC2CC3CC1C2O3
InChIInChI=1S/C7H8O3/c8-7-4-1-3-2-5(10-7)6(4)9-3/h3-6H,1-2H2
InChIKeyOMRNRHKURDNAJA-UHFFFAOYSA-N
XLogP0.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one?
The IUPAC name of 4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one (CID 14622133) is 4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one.
What is the SMILES notation for 4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one?
The canonical SMILES for 4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one is O=C1OC2CC3CC1C2O3.
What is the InChIKey of 4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one?
The InChIKey is OMRNRHKURDNAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c8-7-4-1-3-2-5(10-7)6(4)9-3/h3-6H,1-2H2.
What are the key properties of 4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one?
4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one has a molecular weight of 140.14 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one is sourced from PubChem (CID 14622133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).