4-oxatricyclo[4.3.1.03,7]decane-2,5-dione

C9H10O3 — CID 130028254

IUPAC4-oxatricyclo[4.3.1.03,7]decane-2,5-dione
SMILESO=C1OC2C(=O)C3CCC2C1C3
InChIInChI=1S/C9H10O3/c10-7-4-1-2-5-6(3-4)9(11)12-8(5)7/h4-6,8H,1-3H2
InChIKeySWIPPHDWGMZLPH-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.53
Rot. Bonds

About 4-oxatricyclo[4.3.1.03,7]decane-2,5-dione

4-oxatricyclo[4.3.1.03,7]decane-2,5-dione (PubChem CID 130028254) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-oxatricyclo[4.3.1.03,7]decane-2,5-dione.

Molecular Properties

Compound Name4-oxatricyclo[4.3.1.03,7]decane-2,5-dione
PubChem CID130028254
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name4-oxatricyclo[4.3.1.03,7]decane-2,5-dione
SMILESO=C1OC2C(=O)C3CCC2C1C3
InChIInChI=1S/C9H10O3/c10-7-4-1-2-5-6(3-4)9(11)12-8(5)7/h4-6,8H,1-3H2
InChIKeySWIPPHDWGMZLPH-UHFFFAOYSA-N
XLogP0.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxatricyclo[4.3.1.03,7]decane-2,5-dione?
The IUPAC name of 4-oxatricyclo[4.3.1.03,7]decane-2,5-dione (CID 130028254) is 4-oxatricyclo[4.3.1.03,7]decane-2,5-dione.
What is the SMILES notation for 4-oxatricyclo[4.3.1.03,7]decane-2,5-dione?
The canonical SMILES for 4-oxatricyclo[4.3.1.03,7]decane-2,5-dione is O=C1OC2C(=O)C3CCC2C1C3.
What is the InChIKey of 4-oxatricyclo[4.3.1.03,7]decane-2,5-dione?
The InChIKey is SWIPPHDWGMZLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-7-4-1-2-5-6(3-4)9(11)12-8(5)7/h4-6,8H,1-3H2.
What are the key properties of 4-oxatricyclo[4.3.1.03,7]decane-2,5-dione?
4-oxatricyclo[4.3.1.03,7]decane-2,5-dione has a molecular weight of 166.18 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxatricyclo[4.3.1.03,7]decane-2,5-dione is sourced from PubChem (CID 130028254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).