dimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate

C22H32O5Si2 — CID 71680037

IUPACdimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2cc(OC)c([Si](C)(C)C)c(C#C[Si](C)(C)C)c2C1
InChIInChI=1S/C22H32O5Si2/c1-25-18-12-15-13-22(20(23)26-2,21(24)27-3)14-17(15)16(10-11-28(4,5)6)19(18)29(7,8)9/h12H,13-14H2,1-9H3
InChIKeyNEKMPNLWRZKPAO-UHFFFAOYSA-N
MW432.67 g/mol
LogP2.90
Rot. Bonds4

About dimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate

dimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate (PubChem CID 71680037) has the molecular formula C22H32O5Si2 and a molecular weight of 432.67 g/mol. Its IUPAC name is dimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate
PubChem CID71680037
Molecular FormulaC22H32O5Si2
Molecular Weight432.67 g/mol
Exact Mass432.18
IUPAC Namedimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2cc(OC)c([Si](C)(C)C)c(C#C[Si](C)(C)C)c2C1
InChIInChI=1S/C22H32O5Si2/c1-25-18-12-15-13-22(20(23)26-2,21(24)27-3)14-17(15)16(10-11-28(4,5)6)19(18)29(7,8)9/h12H,13-14H2,1-9H3
InChIKeyNEKMPNLWRZKPAO-UHFFFAOYSA-N
XLogP2.90
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.67
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate with MolForge

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Related Compounds

dimethyl 4-methyl-6-trimethylsilyl-1,3-dihydroindene-2,2-dicarboxylate
CID 11544278
dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 101408805
dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate
CID 134929299
dimethyl 4-[2-(2,4-dimethoxyphenyl)ethynyl]-7-methoxy-1,3-dihydroindeno[5,6-b][1]benzofuran-2,2-dicarboxylate
CID 145444604
tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate
CID 11727810
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
methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate
CID 169495051
1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone
CID 70149856
dimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate
CID 101357266
dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
CID 132990625
dimethyl 3-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 101363600
2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane
CID 11160666

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate?
The IUPAC name of dimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate (CID 71680037) is dimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate.
What is the SMILES notation for dimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate?
The canonical SMILES for dimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate is COC(=O)C1(C(=O)OC)Cc2cc(OC)c([Si](C)(C)C)c(C#C[Si](C)(C)C)c2C1.
What is the InChIKey of dimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate?
The InChIKey is NEKMPNLWRZKPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O5Si2/c1-25-18-12-15-13-22(20(23)26-2,21(24)27-3)14-17(15)16(10-11-28(4,5)6)19(18)29(7,8)9/h12H,13-14H2,1-9H3.
What are the key properties of dimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate?
dimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate has a molecular weight of 432.67 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate is sourced from PubChem (CID 71680037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).