diethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate

C19H34F2O7Si2 — CID 102055419

IUPACdiethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C=C(C([Si](C)(C)C)[Si](OC)(OC)OC)C(C(F)F)C1
InChIInChI=1S/C19H34F2O7Si2/c1-9-27-17(22)19(18(23)28-10-2)11-13(15(20)21)14(12-19)16(29(6,7)8)30(24-3,25-4)26-5/h12-13,15-16H,9-11H2,1-8H3
InChIKeySQEKEXBTVDKEGV-UHFFFAOYSA-N
MW468.64 g/mol
LogP3.44
Rot. Bonds11

About diethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate

diethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate (PubChem CID 102055419) has the molecular formula C19H34F2O7Si2 and a molecular weight of 468.64 g/mol. Its IUPAC name is diethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate
PubChem CID102055419
Molecular FormulaC19H34F2O7Si2
Molecular Weight468.64 g/mol
Exact Mass468.18
IUPAC Namediethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C=C(C([Si](C)(C)C)[Si](OC)(OC)OC)C(C(F)F)C1
InChIInChI=1S/C19H34F2O7Si2/c1-9-27-17(22)19(18(23)28-10-2)11-13(15(20)21)14(12-19)16(29(6,7)8)30(24-3,25-4)26-5/h12-13,15-16H,9-11H2,1-8H3
InChIKeySQEKEXBTVDKEGV-UHFFFAOYSA-N
XLogP3.44
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate?
The IUPAC name of diethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate (CID 102055419) is diethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate.
What is the SMILES notation for diethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate?
The canonical SMILES for diethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)C=C(C([Si](C)(C)C)[Si](OC)(OC)OC)C(C(F)F)C1.
What is the InChIKey of diethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate?
The InChIKey is SQEKEXBTVDKEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F2O7Si2/c1-9-27-17(22)19(18(23)28-10-2)11-13(15(20)21)14(12-19)16(29(6,7)8)30(24-3,25-4)26-5/h12-13,15-16H,9-11H2,1-8H3.
What are the key properties of diethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate?
diethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate has a molecular weight of 468.64 g/mol, XLogP of 3.44, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(difluoromethyl)-3-[trimethoxysilyl(trimethylsilyl)methyl]cyclopent-2-ene-1,1-dicarboxylate is sourced from PubChem (CID 102055419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).