4-ethenoxytricyclo[5.2.1.02,6]decane

C12H18O — CID 58122806

IUPAC4-ethenoxytricyclo[5.2.1.02,6]decane
SMILESC=COC1CC2C3CCC(C3)C2C1
InChIInChI=1S/C12H18O/c1-2-13-10-6-11-8-3-4-9(5-8)12(11)7-10/h2,8-12H,1,3-7H2
InChIKeyIKRLUOBOIYRHOP-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.97
Rot. Bonds2

About 4-ethenoxytricyclo[5.2.1.02,6]decane

4-ethenoxytricyclo[5.2.1.02,6]decane (PubChem CID 58122806) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-ethenoxytricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name4-ethenoxytricyclo[5.2.1.02,6]decane
PubChem CID58122806
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name4-ethenoxytricyclo[5.2.1.02,6]decane
SMILESC=COC1CC2C3CCC(C3)C2C1
InChIInChI=1S/C12H18O/c1-2-13-10-6-11-8-3-4-9(5-8)12(11)7-10/h2,8-12H,1,3-7H2
InChIKeyIKRLUOBOIYRHOP-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-ethenoxytricyclo[5.2.1.02,6]decane 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 4-ethenoxytricyclo[5.2.1.02,6]decane?
The IUPAC name of 4-ethenoxytricyclo[5.2.1.02,6]decane (CID 58122806) is 4-ethenoxytricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 4-ethenoxytricyclo[5.2.1.02,6]decane?
The canonical SMILES for 4-ethenoxytricyclo[5.2.1.02,6]decane is C=COC1CC2C3CCC(C3)C2C1.
What is the InChIKey of 4-ethenoxytricyclo[5.2.1.02,6]decane?
The InChIKey is IKRLUOBOIYRHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-2-13-10-6-11-8-3-4-9(5-8)12(11)7-10/h2,8-12H,1,3-7H2.
What are the key properties of 4-ethenoxytricyclo[5.2.1.02,6]decane?
4-ethenoxytricyclo[5.2.1.02,6]decane has a molecular weight of 178.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxytricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 58122806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).