3-oxatricyclo[5.2.1.02,6]dec-8-ene

C9H12O — CID 23555988

IUPAC3-oxatricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=CC2CC1C1CCOC21
InChIInChI=1S/C9H12O/c1-2-7-5-6(1)8-3-4-10-9(7)8/h1-2,6-9H,3-5H2
InChIKeyZWBVEYWHQQIYLO-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.60
Rot. Bonds

About 3-oxatricyclo[5.2.1.02,6]dec-8-ene

3-oxatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 23555988) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 3-oxatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name3-oxatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID23555988
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name3-oxatricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=CC2CC1C1CCOC21
InChIInChI=1S/C9H12O/c1-2-7-5-6(1)8-3-4-10-9(7)8/h1-2,6-9H,3-5H2
InChIKeyZWBVEYWHQQIYLO-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-oxatricyclo[5.2.1.02,6]dec-8-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 3-oxatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 3-oxatricyclo[5.2.1.02,6]dec-8-ene (CID 23555988) is 3-oxatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 3-oxatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 3-oxatricyclo[5.2.1.02,6]dec-8-ene is C1=CC2CC1C1CCOC21.
What is the InChIKey of 3-oxatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is ZWBVEYWHQQIYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-7-5-6(1)8-3-4-10-9(7)8/h1-2,6-9H,3-5H2.
What are the key properties of 3-oxatricyclo[5.2.1.02,6]dec-8-ene?
3-oxatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 136.19 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 23555988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).