10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

C9H10O2 — CID 146664944

IUPAC10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1CCC2C3C=CC(O3)C12
InChIInChI=1S/C9H10O2/c10-6-2-1-5-7-3-4-8(11-7)9(5)6/h3-5,7-9H,1-2H2
InChIKeyWRJDAFZIIAMNRC-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.92
Rot. Bonds

About 10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 146664944) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID146664944
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESO=C1CCC2C3C=CC(O3)C12
InChIInChI=1S/C9H10O2/c10-6-2-1-5-7-3-4-8(11-7)9(5)6/h3-5,7-9H,1-2H2
InChIKeyWRJDAFZIIAMNRC-UHFFFAOYSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of 10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one (CID 146664944) is 10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for 10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for 10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one is O=C1CCC2C3C=CC(O3)C12.
What is the InChIKey of 10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is WRJDAFZIIAMNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-6-2-1-5-7-3-4-8(11-7)9(5)6/h3-5,7-9H,1-2H2.
What are the key properties of 10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 150.18 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxatricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 146664944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).