dimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate

C15H18O6 — CID 567828

IUPACdimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2C=CC1C1OC(C)(C)OC21
InChIInChI=1S/C15H18O6/c1-15(2)20-11-7-5-6-8(12(11)21-15)10(14(17)19-4)9(7)13(16)18-3/h5-8,11-12H,1-4H3
InChIKeyUGROHQGJHMOLJV-UHFFFAOYSA-N
MW294.30 g/mol
LogP0.96
Rot. Bonds2

About dimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate

dimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate (PubChem CID 567828) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is dimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate
PubChem CID567828
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Namedimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2C=CC1C1OC(C)(C)OC21
InChIInChI=1S/C15H18O6/c1-15(2)20-11-7-5-6-8(12(11)21-15)10(14(17)19-4)9(7)13(16)18-3/h5-8,11-12H,1-4H3
InChIKeyUGROHQGJHMOLJV-UHFFFAOYSA-N
XLogP0.96
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate 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 dimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate?
The IUPAC name of dimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate (CID 567828) is dimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate.
What is the SMILES notation for dimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate?
The canonical SMILES for dimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2C=CC1C1OC(C)(C)OC21.
What is the InChIKey of dimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate?
The InChIKey is UGROHQGJHMOLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O6/c1-15(2)20-11-7-5-6-8(12(11)21-15)10(14(17)19-4)9(7)13(16)18-3/h5-8,11-12H,1-4H3.
What are the key properties of dimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate?
dimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate has a molecular weight of 294.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4,4-dimethyl-3,5-dioxatricyclo[5.2.2.02,6]undeca-8,10-diene-8,9-dicarboxylate is sourced from PubChem (CID 567828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).