diethyl 4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate

C15H26O4Si — CID 554493

IUPACdiethyl 4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)C1CC(=C[Si](C)(C)C)CC1C(=O)OCC
InChIInChI=1S/C15H26O4Si/c1-6-18-14(16)12-8-11(10-20(3,4)5)9-13(12)15(17)19-7-2/h10,12-13H,6-9H2,1-5H3
InChIKeyMSWIMWMVJKRIBU-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.94
Rot. Bonds5

About diethyl 4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate

diethyl 4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate (PubChem CID 554493) has the molecular formula C15H26O4Si and a molecular weight of 298.45 g/mol. Its IUPAC name is diethyl 4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate
PubChem CID554493
Molecular FormulaC15H26O4Si
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Namediethyl 4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)C1CC(=C[Si](C)(C)C)CC1C(=O)OCC
InChIInChI=1S/C15H26O4Si/c1-6-18-14(16)12-8-11(10-20(3,4)5)9-13(12)15(17)19-7-2/h10,12-13H,6-9H2,1-5H3
InChIKeyMSWIMWMVJKRIBU-UHFFFAOYSA-N
XLogP2.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate?
The IUPAC name of diethyl 4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate (CID 554493) is diethyl 4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate.
What is the SMILES notation for diethyl 4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate?
The canonical SMILES for diethyl 4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate is CCOC(=O)C1CC(=C[Si](C)(C)C)CC1C(=O)OCC.
What is the InChIKey of diethyl 4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate?
The InChIKey is MSWIMWMVJKRIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-6-18-14(16)12-8-11(10-20(3,4)5)9-13(12)15(17)19-7-2/h10,12-13H,6-9H2,1-5H3.
What are the key properties of diethyl 4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate?
diethyl 4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate has a molecular weight of 298.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 554493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).