10-oxatricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene

C9H6O — CID 134368852

IUPAC10-oxatricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene
SMILESC1=Cc2c(c3ccc2o3)C1
InChIInChI=1S/C9H6O/c1-2-6-7(3-1)9-5-4-8(6)10-9/h1-2,4-5H,3H2
InChIKeyMJGHXRUZWINACR-UHFFFAOYSA-N
MW130.15 g/mol
LogP2.44
Rot. Bonds

About 10-oxatricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene

10-oxatricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene (PubChem CID 134368852) has the molecular formula C9H6O and a molecular weight of 130.15 g/mol. Its IUPAC name is 10-oxatricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene.

Molecular Properties

Compound Name10-oxatricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene
PubChem CID134368852
Molecular FormulaC9H6O
Molecular Weight130.15 g/mol
Exact Mass130.04
IUPAC Name10-oxatricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene
SMILESC1=Cc2c(c3ccc2o3)C1
InChIInChI=1S/C9H6O/c1-2-6-7(3-1)9-5-4-8(6)10-9/h1-2,4-5H,3H2
InChIKeyMJGHXRUZWINACR-UHFFFAOYSA-N
XLogP2.44
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-oxatricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene 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[5.2.1.02,6]deca-1,3,6,8-tetraene?
The IUPAC name of 10-oxatricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene (CID 134368852) is 10-oxatricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene.
What is the SMILES notation for 10-oxatricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene?
The canonical SMILES for 10-oxatricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene is C1=Cc2c(c3ccc2o3)C1.
What is the InChIKey of 10-oxatricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene?
The InChIKey is MJGHXRUZWINACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O/c1-2-6-7(3-1)9-5-4-8(6)10-9/h1-2,4-5H,3H2.
What are the key properties of 10-oxatricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene?
10-oxatricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene has a molecular weight of 130.15 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxatricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene is sourced from PubChem (CID 134368852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).