diethyl 4-(difluoromethyl)-3-[1-[ethyl(dimethyl)silyl]ethyl]cyclopent-2-ene-1,1-dicarboxylate

C18H30F2O4Si — CID 102055409

IUPACdiethyl 4-(difluoromethyl)-3-[1-[ethyl(dimethyl)silyl]ethyl]cyclopent-2-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C=C(C(C)[Si](C)(C)CC)C(C(F)F)C1
InChIInChI=1S/C18H30F2O4Si/c1-7-23-16(21)18(17(22)24-8-2)10-13(14(11-18)15(19)20)12(4)25(5,6)9-3/h10,12,14-15H,7-9,11H2,1-6H3
InChIKeyOTCMMOYBBYTUPU-UHFFFAOYSA-N
MW376.52 g/mol
LogP4.43
Rot. Bonds8

About diethyl 4-(difluoromethyl)-3-[1-[ethyl(dimethyl)silyl]ethyl]cyclopent-2-ene-1,1-dicarboxylate

diethyl 4-(difluoromethyl)-3-[1-[ethyl(dimethyl)silyl]ethyl]cyclopent-2-ene-1,1-dicarboxylate (PubChem CID 102055409) has the molecular formula C18H30F2O4Si and a molecular weight of 376.52 g/mol. Its IUPAC name is diethyl 4-(difluoromethyl)-3-[1-[ethyl(dimethyl)silyl]ethyl]cyclopent-2-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(difluoromethyl)-3-[1-[ethyl(dimethyl)silyl]ethyl]cyclopent-2-ene-1,1-dicarboxylate
PubChem CID102055409
Molecular FormulaC18H30F2O4Si
Molecular Weight376.52 g/mol
Exact Mass376.19
IUPAC Namediethyl 4-(difluoromethyl)-3-[1-[ethyl(dimethyl)silyl]ethyl]cyclopent-2-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C=C(C(C)[Si](C)(C)CC)C(C(F)F)C1
InChIInChI=1S/C18H30F2O4Si/c1-7-23-16(21)18(17(22)24-8-2)10-13(14(11-18)15(19)20)12(4)25(5,6)9-3/h10,12,14-15H,7-9,11H2,1-6H3
InChIKeyOTCMMOYBBYTUPU-UHFFFAOYSA-N
XLogP4.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[1-[ethyl(dimethyl)silyl]ethyl]cyclopent-2-ene-1,1-dicarboxylate?
The IUPAC name of diethyl 4-(difluoromethyl)-3-[1-[ethyl(dimethyl)silyl]ethyl]cyclopent-2-ene-1,1-dicarboxylate (CID 102055409) is diethyl 4-(difluoromethyl)-3-[1-[ethyl(dimethyl)silyl]ethyl]cyclopent-2-ene-1,1-dicarboxylate.
What is the SMILES notation for diethyl 4-(difluoromethyl)-3-[1-[ethyl(dimethyl)silyl]ethyl]cyclopent-2-ene-1,1-dicarboxylate?
The canonical SMILES for diethyl 4-(difluoromethyl)-3-[1-[ethyl(dimethyl)silyl]ethyl]cyclopent-2-ene-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)C=C(C(C)[Si](C)(C)CC)C(C(F)F)C1.
What is the InChIKey of diethyl 4-(difluoromethyl)-3-[1-[ethyl(dimethyl)silyl]ethyl]cyclopent-2-ene-1,1-dicarboxylate?
The InChIKey is OTCMMOYBBYTUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F2O4Si/c1-7-23-16(21)18(17(22)24-8-2)10-13(14(11-18)15(19)20)12(4)25(5,6)9-3/h10,12,14-15H,7-9,11H2,1-6H3.
What are the key properties of diethyl 4-(difluoromethyl)-3-[1-[ethyl(dimethyl)silyl]ethyl]cyclopent-2-ene-1,1-dicarboxylate?
diethyl 4-(difluoromethyl)-3-[1-[ethyl(dimethyl)silyl]ethyl]cyclopent-2-ene-1,1-dicarboxylate has a molecular weight of 376.52 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(difluoromethyl)-3-[1-[ethyl(dimethyl)silyl]ethyl]cyclopent-2-ene-1,1-dicarboxylate is sourced from PubChem (CID 102055409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).