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

C17H26O5Si — CID 101364484

IUPACdimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=CC(C)(C)OC([Si](C)(C)C)=C2C1
InChIInChI=1S/C17H26O5Si/c1-16(2)8-11-9-17(14(18)20-3,15(19)21-4)10-12(11)13(22-16)23(5,6)7/h8H,9-10H2,1-7H3
InChIKeySKIAAWVTFPMZRJ-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.98
Rot. Bonds3

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

dimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate (PubChem CID 101364484) has the molecular formula C17H26O5Si and a molecular weight of 338.48 g/mol. Its IUPAC name is dimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
PubChem CID101364484
Molecular FormulaC17H26O5Si
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Namedimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC2=CC(C)(C)OC([Si](C)(C)C)=C2C1
InChIInChI=1S/C17H26O5Si/c1-16(2)8-11-9-17(14(18)20-3,15(19)21-4)10-12(11)13(22-16)23(5,6)7/h8H,9-10H2,1-7H3
InChIKeySKIAAWVTFPMZRJ-UHFFFAOYSA-N
XLogP2.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.98
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'}

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Related Compounds

dimethyl 6-trimethylsilyl-1,3,4,5-tetrahydroindene-2,2-dicarboxylate
CID 11558617
dimethyl 4-methyl-6-trimethylsilyl-1,3-dihydroindene-2,2-dicarboxylate
CID 11544278
dimethyl 5-oxo-4,6-diphenyl-1,3-dihydropentalene-2,2-dicarboxylate
CID 11165142
dimethyl 2-trimethylsilylcycloprop-2-ene-1,1-dicarboxylate
CID 24754702
dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 101408805
dimethyl (1Z,6Z)-1,6-dimethyl-5-oxo-7,9-dihydro-2H-cyclopenta[d]oxocine-8,8-dicarboxylate
CID 71274788
dimethyl (1S,5R)-5-methyl-7-oxo-6-oxabicyclo[3.2.0]heptane-3,3-dicarboxylate
CID 71730014
methyl 2-hydroxy-1,3,3-trimethyl-5-oxocyclopentane-1-carboxylate
CID 135039280
dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101256704
dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11120024
dimethyl 6-methyl-4-phenyl-4-(trifluoromethyl)-1,3-dihydropentalene-2,2-dicarboxylate
CID 177493653
dimethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10561083

Frequently Asked Questions

What is the IUPAC name of dimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate?
The IUPAC name of dimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate (CID 101364484) is dimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate.
What is the SMILES notation for dimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate?
The canonical SMILES for dimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate is COC(=O)C1(C(=O)OC)CC2=CC(C)(C)OC([Si](C)(C)C)=C2C1.
What is the InChIKey of dimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate?
The InChIKey is SKIAAWVTFPMZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5Si/c1-16(2)8-11-9-17(14(18)20-3,15(19)21-4)10-12(11)13(22-16)23(5,6)7/h8H,9-10H2,1-7H3.
What are the key properties of dimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate?
dimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate has a molecular weight of 338.48 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,3-dimethyl-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyran-6,6-dicarboxylate is sourced from PubChem (CID 101364484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).