8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene

C11H16O2 — CID 54413202

IUPAC8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene
SMILESC1=C2CCCC2C2CCCOC2O1
InChIInChI=1S/C11H16O2/c1-3-8-7-13-11-10(9(8)4-1)5-2-6-12-11/h7,9-11H,1-6H2
InChIKeyVVPBHBUWFNOGFB-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.45
Rot. Bonds

About 8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene

8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene (PubChem CID 54413202) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene.

Molecular Properties

Compound Name8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene
PubChem CID54413202
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene
SMILESC1=C2CCCC2C2CCCOC2O1
InChIInChI=1S/C11H16O2/c1-3-8-7-13-11-10(9(8)4-1)5-2-6-12-11/h7,9-11H,1-6H2
InChIKeyVVPBHBUWFNOGFB-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene 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 8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene?
The IUPAC name of 8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene (CID 54413202) is 8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene.
What is the SMILES notation for 8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene?
The canonical SMILES for 8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene is C1=C2CCCC2C2CCCOC2O1.
What is the InChIKey of 8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene?
The InChIKey is VVPBHBUWFNOGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-8-7-13-11-10(9(8)4-1)5-2-6-12-11/h7,9-11H,1-6H2.
What are the key properties of 8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene?
8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene has a molecular weight of 180.25 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dioxatricyclo[7.4.0.02,6]tridec-6-ene is sourced from PubChem (CID 54413202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).