trimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate

C13H16O8 — CID 23263788

IUPACtrimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate
SMILESCOC(=O)C1=C(OC)C(OC)=C(C(=O)OC)C1C(=O)OC
InChIInChI=1S/C13H16O8/c1-17-9-7(12(15)20-4)6(11(14)19-3)8(10(9)18-2)13(16)21-5/h6H,1-5H3
InChIKeyYZFGUENHKPYNPK-UHFFFAOYSA-N
MW300.26 g/mol
LogP-0.06
Rot. Bonds5

About trimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate

trimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate (PubChem CID 23263788) has the molecular formula C13H16O8 and a molecular weight of 300.26 g/mol. Its IUPAC name is trimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametrimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate
PubChem CID23263788
Molecular FormulaC13H16O8
Molecular Weight300.26 g/mol
Exact Mass300.08
IUPAC Nametrimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate
SMILESCOC(=O)C1=C(OC)C(OC)=C(C(=O)OC)C1C(=O)OC
InChIInChI=1S/C13H16O8/c1-17-9-7(12(15)20-4)6(11(14)19-3)8(10(9)18-2)13(16)21-5/h6H,1-5H3
InChIKeyYZFGUENHKPYNPK-UHFFFAOYSA-N
XLogP-0.06
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze trimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate 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 trimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate?
The IUPAC name of trimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate (CID 23263788) is trimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate.
What is the SMILES notation for trimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate?
The canonical SMILES for trimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate is COC(=O)C1=C(OC)C(OC)=C(C(=O)OC)C1C(=O)OC.
What is the InChIKey of trimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate?
The InChIKey is YZFGUENHKPYNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O8/c1-17-9-7(12(15)20-4)6(11(14)19-3)8(10(9)18-2)13(16)21-5/h6H,1-5H3.
What are the key properties of trimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate?
trimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate has a molecular weight of 300.26 g/mol, XLogP of -0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl 4,5-dimethoxycyclopenta-3,5-diene-1,2,3-tricarboxylate is sourced from PubChem (CID 23263788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).