3-oxatricyclo[5.2.1.02,6]decan-4-one

C9H12O2 — CID 13403344

IUPAC3-oxatricyclo[5.2.1.02,6]decan-4-one
SMILESO=C1CC2C3CCC(C3)C2O1
InChIInChI=1S/C9H12O2/c10-8-4-7-5-1-2-6(3-5)9(7)11-8/h5-7,9H,1-4H2
InChIKeyBIASPHNGXKFEPM-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.35
Rot. Bonds

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

3-oxatricyclo[5.2.1.02,6]decan-4-one (PubChem CID 13403344) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 3-oxatricyclo[5.2.1.02,6]decan-4-one.

Molecular Properties

Compound Name3-oxatricyclo[5.2.1.02,6]decan-4-one
PubChem CID13403344
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name3-oxatricyclo[5.2.1.02,6]decan-4-one
SMILESO=C1CC2C3CCC(C3)C2O1
InChIInChI=1S/C9H12O2/c10-8-4-7-5-1-2-6(3-5)9(7)11-8/h5-7,9H,1-4H2
InChIKeyBIASPHNGXKFEPM-UHFFFAOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxatricyclo[5.2.1.02,6]decan-4-one?
The IUPAC name of 3-oxatricyclo[5.2.1.02,6]decan-4-one (CID 13403344) is 3-oxatricyclo[5.2.1.02,6]decan-4-one.
What is the SMILES notation for 3-oxatricyclo[5.2.1.02,6]decan-4-one?
The canonical SMILES for 3-oxatricyclo[5.2.1.02,6]decan-4-one is O=C1CC2C3CCC(C3)C2O1.
What is the InChIKey of 3-oxatricyclo[5.2.1.02,6]decan-4-one?
The InChIKey is BIASPHNGXKFEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-8-4-7-5-1-2-6(3-5)9(7)11-8/h5-7,9H,1-4H2.
What are the key properties of 3-oxatricyclo[5.2.1.02,6]decan-4-one?
3-oxatricyclo[5.2.1.02,6]decan-4-one has a molecular weight of 152.19 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxatricyclo[5.2.1.02,6]decan-4-one is sourced from PubChem (CID 13403344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).