dimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate

C16H22O6Si — CID 135063180

IUPACdimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2c(C)oc(=O)c([Si](C)(C)C)c2C1
InChIInChI=1S/C16H22O6Si/c1-9-10-7-16(14(18)20-2,15(19)21-3)8-11(10)12(13(17)22-9)23(4,5)6/h7-8H2,1-6H3
InChIKeyRDBOUQSHKUUYKA-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.92
Rot. Bonds3

About dimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate

dimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate (PubChem CID 135063180) has the molecular formula C16H22O6Si and a molecular weight of 338.43 g/mol. Its IUPAC name is dimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
PubChem CID135063180
Molecular FormulaC16H22O6Si
Molecular Weight338.43 g/mol
Exact Mass338.12
IUPAC Namedimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2c(C)oc(=O)c([Si](C)(C)C)c2C1
InChIInChI=1S/C16H22O6Si/c1-9-10-7-16(14(18)20-2,15(19)21-3)8-11(10)12(13(17)22-9)23(4,5)6/h7-8H2,1-6H3
InChIKeyRDBOUQSHKUUYKA-UHFFFAOYSA-N
XLogP0.92
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Dimethyl 1,4-dimethyl-3-oxo-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 11851445
Dimethyl 1,4-diethyl-3-oxo-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 101218246
Dimethyl 3-oxo-1,4-di(propan-2-yl)-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 101218247
6,6-Bis[[tert-butyl(dimethyl)silyl]methoxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one
CID 135062567
Dimethyl 1,3,3,4-tetramethyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 135068325
Dimethyl 4-tert-butyl-1-methyl-3-oxo-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 177498956
dimethyl (3E,4Z)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11036349
Diethyl 1,4-diethyl-3-oxo-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 140059824
Diethyl 1,4-dimethyl-3-oxo-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 140059826
Dimethyl 4-methyl-3-oxo-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 11439163
6,6-Bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethyl-5,7-dihydrocyclopenta[c]pyran-3-one
CID 101218249
Dimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 101364484

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate?
The IUPAC name of dimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate (CID 135063180) is dimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate.
What is the SMILES notation for dimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate?
The canonical SMILES for dimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate is COC(=O)C1(C(=O)OC)Cc2c(C)oc(=O)c([Si](C)(C)C)c2C1.
What is the InChIKey of dimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate?
The InChIKey is RDBOUQSHKUUYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O6Si/c1-9-10-7-16(14(18)20-2,15(19)21-3)8-11(10)12(13(17)22-9)23(4,5)6/h7-8H2,1-6H3.
What are the key properties of dimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate?
dimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate has a molecular weight of 338.43 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-methyl-3-oxo-4-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate is sourced from PubChem (CID 135063180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).