10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one

C10H8O2 — CID 69429377

IUPAC10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one
SMILESO=C1C2CC=C3C=CC=CC13O2
InChIInChI=1S/C10H8O2/c11-9-8-5-4-7-3-1-2-6-10(7,9)12-8/h1-4,6,8H,5H2
InChIKeySNRAULCMIKEUOT-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.15
Rot. Bonds

About 10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one

10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one (PubChem CID 69429377) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one.

Molecular Properties

Compound Name10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one
PubChem CID69429377
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one
SMILESO=C1C2CC=C3C=CC=CC13O2
InChIInChI=1S/C10H8O2/c11-9-8-5-4-7-3-1-2-6-10(7,9)12-8/h1-4,6,8H,5H2
InChIKeySNRAULCMIKEUOT-UHFFFAOYSA-N
XLogP1.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one?
The IUPAC name of 10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one (CID 69429377) is 10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one.
What is the SMILES notation for 10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one?
The canonical SMILES for 10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one is O=C1C2CC=C3C=CC=CC13O2.
What is the InChIKey of 10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one?
The InChIKey is SNRAULCMIKEUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c11-9-8-5-4-7-3-1-2-6-10(7,9)12-8/h1-4,6,8H,5H2.
What are the key properties of 10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one?
10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one has a molecular weight of 160.17 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxatricyclo[7.1.1.01,6]undeca-2,4,6-trien-11-one is sourced from PubChem (CID 69429377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).