diethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate

C22H36O5Si — CID 101382045

IUPACdiethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=C(C(CO[Si](C)(C)C(C)(C)C)=C2CC2)C1
InChIInChI=1S/C22H36O5Si/c1-8-25-19(23)22(20(24)26-9-2)13-12-17(14-22)18(16-10-11-16)15-27-28(6,7)21(3,4)5/h12H,8-11,13-15H2,1-7H3
InChIKeyNCCDTCBQHRBYLS-UHFFFAOYSA-N
MW408.61 g/mol
LogP4.93
Rot. Bonds8

About diethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate

diethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate (PubChem CID 101382045) has the molecular formula C22H36O5Si and a molecular weight of 408.61 g/mol. Its IUPAC name is diethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate
PubChem CID101382045
Molecular FormulaC22H36O5Si
Molecular Weight408.61 g/mol
Exact Mass408.23
IUPAC Namediethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=C(C(CO[Si](C)(C)C(C)(C)C)=C2CC2)C1
InChIInChI=1S/C22H36O5Si/c1-8-25-19(23)22(20(24)26-9-2)13-12-17(14-22)18(16-10-11-16)15-27-28(6,7)21(3,4)5/h12H,8-11,13-15H2,1-7H3
InChIKeyNCCDTCBQHRBYLS-UHFFFAOYSA-N
XLogP4.93
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.93
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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Frequently Asked Questions

What is the IUPAC name of diethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of diethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate (CID 101382045) is diethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for diethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for diethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC=C(C(CO[Si](C)(C)C(C)(C)C)=C2CC2)C1.
What is the InChIKey of diethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is NCCDTCBQHRBYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O5Si/c1-8-25-19(23)22(20(24)26-9-2)13-12-17(14-22)18(16-10-11-16)15-27-28(6,7)21(3,4)5/h12H,8-11,13-15H2,1-7H3.
What are the key properties of diethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate?
diethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 408.61 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 101382045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).