dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate

C16H22ClNO4Si — CID 101408805

IUPACdimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2cc(CCl)nc([Si](C)(C)C)c2C1
InChIInChI=1S/C16H22ClNO4Si/c1-21-14(19)16(15(20)22-2)7-10-6-11(9-17)18-13(12(10)8-16)23(3,4)5/h6H,7-9H2,1-5H3
InChIKeyUYOLJUIGQJJVAR-UHFFFAOYSA-N
MW355.89 g/mol
LogP1.80
Rot. Bonds4

About dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate

dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate (PubChem CID 101408805) has the molecular formula C16H22ClNO4Si and a molecular weight of 355.89 g/mol. Its IUPAC name is dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
PubChem CID101408805
Molecular FormulaC16H22ClNO4Si
Molecular Weight355.89 g/mol
Exact Mass355.10
IUPAC Namedimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2cc(CCl)nc([Si](C)(C)C)c2C1
InChIInChI=1S/C16H22ClNO4Si/c1-21-14(19)16(15(20)22-2)7-10-6-11(9-17)18-13(12(10)8-16)23(3,4)5/h6H,7-9H2,1-5H3
InChIKeyUYOLJUIGQJJVAR-UHFFFAOYSA-N
XLogP1.80
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 4-methyl-6-trimethylsilyl-1,3-dihydroindene-2,2-dicarboxylate
CID 11544278
dimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate
CID 71680037
tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate
CID 11727810
dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate
CID 134929299
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-(dimethylamino)-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 101363600
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 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate
CID 162663502
dimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 101364484
dimethyl 5-(3-hydroxypropyl)-1,3-dihydroindene-2,2-dicarboxylate
CID 102101101
diethyl 4-methyl-1,3,6,8-tetrahydrocyclopenta[e][2]benzofuran-7,7-dicarboxylate
CID 11088426

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate?
The IUPAC name of dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate (CID 101408805) is dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate.
What is the SMILES notation for dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate?
The canonical SMILES for dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate is COC(=O)C1(C(=O)OC)Cc2cc(CCl)nc([Si](C)(C)C)c2C1.
What is the InChIKey of dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate?
The InChIKey is UYOLJUIGQJJVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO4Si/c1-21-14(19)16(15(20)22-2)7-10-6-11(9-17)18-13(12(10)8-16)23(3,4)5/h6H,7-9H2,1-5H3.
What are the key properties of dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate?
dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate has a molecular weight of 355.89 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate is sourced from PubChem (CID 101408805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).