8-oxatricyclo[5.2.2.02,6]undec-10-en-9-one

C10H12O2 — CID 135056771

IUPAC8-oxatricyclo[5.2.2.02,6]undec-10-en-9-one
SMILESO=C1OC2C=CC1C1CCCC21
InChIInChI=1S/C10H12O2/c11-10-8-4-5-9(12-10)7-3-1-2-6(7)8/h4-9H,1-3H2
InChIKeySIVLMAWJINHVIT-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.51
Rot. Bonds

About 8-oxatricyclo[5.2.2.02,6]undec-10-en-9-one

8-oxatricyclo[5.2.2.02,6]undec-10-en-9-one (PubChem CID 135056771) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 8-oxatricyclo[5.2.2.02,6]undec-10-en-9-one.

Molecular Properties

Compound Name8-oxatricyclo[5.2.2.02,6]undec-10-en-9-one
PubChem CID135056771
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name8-oxatricyclo[5.2.2.02,6]undec-10-en-9-one
SMILESO=C1OC2C=CC1C1CCCC21
InChIInChI=1S/C10H12O2/c11-10-8-4-5-9(12-10)7-3-1-2-6(7)8/h4-9H,1-3H2
InChIKeySIVLMAWJINHVIT-UHFFFAOYSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.51
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 8-oxatricyclo[5.2.2.02,6]undec-10-en-9-one?
The IUPAC name of 8-oxatricyclo[5.2.2.02,6]undec-10-en-9-one (CID 135056771) is 8-oxatricyclo[5.2.2.02,6]undec-10-en-9-one.
What is the SMILES notation for 8-oxatricyclo[5.2.2.02,6]undec-10-en-9-one?
The canonical SMILES for 8-oxatricyclo[5.2.2.02,6]undec-10-en-9-one is O=C1OC2C=CC1C1CCCC21.
What is the InChIKey of 8-oxatricyclo[5.2.2.02,6]undec-10-en-9-one?
The InChIKey is SIVLMAWJINHVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-10-8-4-5-9(12-10)7-3-1-2-6(7)8/h4-9H,1-3H2.
What are the key properties of 8-oxatricyclo[5.2.2.02,6]undec-10-en-9-one?
8-oxatricyclo[5.2.2.02,6]undec-10-en-9-one has a molecular weight of 164.20 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxatricyclo[5.2.2.02,6]undec-10-en-9-one is sourced from PubChem (CID 135056771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).