tetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate

C17H18O8 — CID 14967711

IUPACtetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate
SMILESCOC(=O)C1=CC2(C(=O)OC)C3CC1C(C(=O)OC)=CC32C(=O)OC
InChIInChI=1S/C17H18O8/c1-22-12(18)9-6-16(14(20)24-3)11-5-8(9)10(13(19)23-2)7-17(11,16)15(21)25-4/h6-8,11H,5H2,1-4H3
InChIKeyXXUDKZOXVBFHSJ-UHFFFAOYSA-N
MW350.32 g/mol
LogP0.17
Rot. Bonds4

About tetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate

tetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate (PubChem CID 14967711) has the molecular formula C17H18O8 and a molecular weight of 350.32 g/mol. Its IUPAC name is tetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate
PubChem CID14967711
Molecular FormulaC17H18O8
Molecular Weight350.32 g/mol
Exact Mass350.10
IUPAC Nametetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate
SMILESCOC(=O)C1=CC2(C(=O)OC)C3CC1C(C(=O)OC)=CC32C(=O)OC
InChIInChI=1S/C17H18O8/c1-22-12(18)9-6-16(14(20)24-3)11-5-8(9)10(13(19)23-2)7-17(11,16)15(21)25-4/h6-8,11H,5H2,1-4H3
InChIKeyXXUDKZOXVBFHSJ-UHFFFAOYSA-N
XLogP0.17
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate 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 tetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate?
The IUPAC name of tetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate (CID 14967711) is tetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate.
What is the SMILES notation for tetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate?
The canonical SMILES for tetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate is COC(=O)C1=CC2(C(=O)OC)C3CC1C(C(=O)OC)=CC32C(=O)OC.
What is the InChIKey of tetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate?
The InChIKey is XXUDKZOXVBFHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O8/c1-22-12(18)9-6-16(14(20)24-3)11-5-8(9)10(13(19)23-2)7-17(11,16)15(21)25-4/h6-8,11H,5H2,1-4H3.
What are the key properties of tetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate?
tetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate has a molecular weight of 350.32 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl tricyclo[3.3.1.02,8]nona-3,6-diene-2,4,6,8-tetracarboxylate is sourced from PubChem (CID 14967711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).