tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate

C17H18O8 — CID 11727810

IUPACtetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate
SMILESCOC(=O)c1cc2c(c(C(=O)OC)c1)CC(C(=O)OC)(C(=O)OC)C2
InChIInChI=1S/C17H18O8/c1-22-13(18)9-5-10-7-17(15(20)24-3,16(21)25-4)8-12(10)11(6-9)14(19)23-2/h5-6H,7-8H2,1-4H3
InChIKeyHTTPGPZVEXSHNR-UHFFFAOYSA-N
MW350.32 g/mol
LogP0.69
Rot. Bonds4

About tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate

tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate (PubChem CID 11727810) has the molecular formula C17H18O8 and a molecular weight of 350.32 g/mol. Its IUPAC name is tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate
PubChem CID11727810
Molecular FormulaC17H18O8
Molecular Weight350.32 g/mol
Exact Mass350.10
IUPAC Nametetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate
SMILESCOC(=O)c1cc2c(c(C(=O)OC)c1)CC(C(=O)OC)(C(=O)OC)C2
InChIInChI=1S/C17H18O8/c1-22-13(18)9-5-10-7-17(15(20)24-3,16(21)25-4)8-12(10)11(6-9)14(19)23-2/h5-6H,7-8H2,1-4H3
InChIKeyHTTPGPZVEXSHNR-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate
CID 10468672
dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate
CID 134929299
dimethyl 4-methyl-6-trimethylsilyl-1,3-dihydroindene-2,2-dicarboxylate
CID 11544278
tetramethyl 4-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,4,9(16),10(14)-pentaene-7,7,12,12-tetracarboxylate
CID 102483815
dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 101408805
dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate
CID 15839798
dimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 101363600
methyl 7-chloro-2,3-dihydro-1H-isoindole-5-carboxylate
CID 130064567
methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate
CID 125427256
dimethyl 3-benzyl-4-(4-methoxycarbonylphenyl)cyclopent-3-ene-1,1-dicarboxylate
CID 11122399
dimethyl 2-(cyanomethyl)-3,4-dihydro-1H-naphthalene-2,7-dicarboxylate
CID 122619562
methyl 7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-carboxylate
CID 59560140

Frequently Asked Questions

What is the IUPAC name of tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate?
The IUPAC name of tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate (CID 11727810) is tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate.
What is the SMILES notation for tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate?
The canonical SMILES for tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate is COC(=O)c1cc2c(c(C(=O)OC)c1)CC(C(=O)OC)(C(=O)OC)C2.
What is the InChIKey of tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate?
The InChIKey is HTTPGPZVEXSHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O8/c1-22-13(18)9-5-10-7-17(15(20)24-3,16(21)25-4)8-12(10)11(6-9)14(19)23-2/h5-6H,7-8H2,1-4H3.
What are the key properties of tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate?
tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate has a molecular weight of 350.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate is sourced from PubChem (CID 11727810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).