diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate

C20H38O4Si — CID 10992304

IUPACdiethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate
SMILESCCCCCC/C(=C\[Si](C)(C)C)C(C)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C20H38O4Si/c1-8-11-12-13-14-17(15-25(5,6)7)16(4)18(19(21)23-9-2)20(22)24-10-3/h15-16,18H,8-14H2,1-7H3/b17-15+
InChIKeyAPSZSVZTKJVEJM-BMRADRMJSA-N
MW370.61 g/mol
LogP5.14
Rot. Bonds12

About diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate

diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate (PubChem CID 10992304) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate
PubChem CID10992304
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Namediethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate
SMILESCCCCCC/C(=C\[Si](C)(C)C)C(C)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C20H38O4Si/c1-8-11-12-13-14-17(15-25(5,6)7)16(4)18(19(21)23-9-2)20(22)24-10-3/h15-16,18H,8-14H2,1-7H3/b17-15+
InChIKeyAPSZSVZTKJVEJM-BMRADRMJSA-N
XLogP5.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.61
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate?
The IUPAC name of diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate (CID 10992304) is diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate.
What is the SMILES notation for diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate?
The canonical SMILES for diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate is CCCCCC/C(=C\[Si](C)(C)C)C(C)C(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate?
The InChIKey is APSZSVZTKJVEJM-BMRADRMJSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-8-11-12-13-14-17(15-25(5,6)7)16(4)18(19(21)23-9-2)20(22)24-10-3/h15-16,18H,8-14H2,1-7H3/b17-15+.
What are the key properties of diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate?
diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate has a molecular weight of 370.61 g/mol, XLogP of 5.14, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate is sourced from PubChem (CID 10992304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).