diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate

C20H32O4Si — CID 10338826

IUPACdiethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC2=C(C)[Si](C)(C(C)(C)C)C(C)=C2C1
InChIInChI=1S/C20H32O4Si/c1-9-23-17(21)20(18(22)24-10-2)11-15-13(3)25(8,19(5,6)7)14(4)16(15)12-20/h9-12H2,1-8H3
InChIKeyVVRUUJTZZBHTHT-UHFFFAOYSA-N
MW364.56 g/mol
LogP4.50
Rot. Bonds4

About diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate

diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate (PubChem CID 10338826) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate
PubChem CID10338826
Molecular FormulaC20H32O4Si
Molecular Weight364.56 g/mol
Exact Mass364.21
IUPAC Namediethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC2=C(C)[Si](C)(C(C)(C)C)C(C)=C2C1
InChIInChI=1S/C20H32O4Si/c1-9-23-17(21)20(18(22)24-10-2)11-15-13(3)25(8,19(5,6)7)14(4)16(15)12-20/h9-12H2,1-8H3
InChIKeyVVRUUJTZZBHTHT-UHFFFAOYSA-N
XLogP4.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 4-[tert-butyl(dimethyl)silyl]-5-oxo-1,3,4,6-tetrahydropentalene-2,2-dicarboxylate
CID 10407433
dimethyl (3E,4E)-3-ethylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 14911452
diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate
CID 14931221
Diethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate
CID 14931223
Dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 72771884
Carbon monoxide;dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate;iron
CID 134886798
Dimethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate
CID 134886799
2-trimethylsilylethyl (2S)-2-carbonofluoridoyl-2-(methoxymethyl)-5,6-dimethylhept-5-enoate
CID 11348567
dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate
CID 10915542
dimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11350190
diethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 13866736
Diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate
CID 71603292

Frequently Asked Questions

What is the IUPAC name of diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate?
The IUPAC name of diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate (CID 10338826) is diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate.
What is the SMILES notation for diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate?
The canonical SMILES for diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC2=C(C)[Si](C)(C(C)(C)C)C(C)=C2C1.
What is the InChIKey of diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate?
The InChIKey is VVRUUJTZZBHTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4Si/c1-9-23-17(21)20(18(22)24-10-2)11-15-13(3)25(8,19(5,6)7)14(4)16(15)12-20/h9-12H2,1-8H3.
What are the key properties of diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate?
diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate has a molecular weight of 364.56 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-tert-butyl-1,2,3-trimethyl-4,6-dihydrocyclopenta[c]silole-5,5-dicarboxylate is sourced from PubChem (CID 10338826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).