1,6,8-trioxaspiro[6.6]trideca-3,10-diene

C10H14O3 — CID 164838316

IUPAC1,6,8-trioxaspiro[6.6]trideca-3,10-diene
SMILESC1=CCOC2(CC1)OCC=CCO2
InChIInChI=1S/C10H14O3/c1-2-6-10(11-7-3-1)12-8-4-5-9-13-10/h1,3-5H,2,6-9H2
InChIKeyYXGSJNQAHCBRCA-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.61
Rot. Bonds

About 1,6,8-trioxaspiro[6.6]trideca-3,10-diene

1,6,8-trioxaspiro[6.6]trideca-3,10-diene (PubChem CID 164838316) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1,6,8-trioxaspiro[6.6]trideca-3,10-diene.

Molecular Properties

Compound Name1,6,8-trioxaspiro[6.6]trideca-3,10-diene
PubChem CID164838316
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1,6,8-trioxaspiro[6.6]trideca-3,10-diene
SMILESC1=CCOC2(CC1)OCC=CCO2
InChIInChI=1S/C10H14O3/c1-2-6-10(11-7-3-1)12-8-4-5-9-13-10/h1,3-5H,2,6-9H2
InChIKeyYXGSJNQAHCBRCA-UHFFFAOYSA-N
XLogP1.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,6,8-trioxaspiro[6.6]trideca-3,10-diene 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 1,6,8-trioxaspiro[6.6]trideca-3,10-diene?
The IUPAC name of 1,6,8-trioxaspiro[6.6]trideca-3,10-diene (CID 164838316) is 1,6,8-trioxaspiro[6.6]trideca-3,10-diene.
What is the SMILES notation for 1,6,8-trioxaspiro[6.6]trideca-3,10-diene?
The canonical SMILES for 1,6,8-trioxaspiro[6.6]trideca-3,10-diene is C1=CCOC2(CC1)OCC=CCO2.
What is the InChIKey of 1,6,8-trioxaspiro[6.6]trideca-3,10-diene?
The InChIKey is YXGSJNQAHCBRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-6-10(11-7-3-1)12-8-4-5-9-13-10/h1,3-5H,2,6-9H2.
What are the key properties of 1,6,8-trioxaspiro[6.6]trideca-3,10-diene?
1,6,8-trioxaspiro[6.6]trideca-3,10-diene has a molecular weight of 182.22 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,8-trioxaspiro[6.6]trideca-3,10-diene is sourced from PubChem (CID 164838316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).