diethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate

C16H30O5Si — CID 10853927

IUPACdiethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate
SMILESC=C(CC(C)(C(=O)OCC)C(=O)OCC)OCC[Si](C)(C)C
InChIInChI=1S/C16H30O5Si/c1-8-19-14(17)16(4,15(18)20-9-2)12-13(3)21-10-11-22(5,6)7/h3,8-12H2,1-2,4-7H3
InChIKeyKIGKNPWIAWICET-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.38
Rot. Bonds10

About diethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate

diethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate (PubChem CID 10853927) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is diethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate
PubChem CID10853927
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Namediethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate
SMILESC=C(CC(C)(C(=O)OCC)C(=O)OCC)OCC[Si](C)(C)C
InChIInChI=1S/C16H30O5Si/c1-8-19-14(17)16(4,15(18)20-9-2)12-13(3)21-10-11-22(5,6)7/h3,8-12H2,1-2,4-7H3
InChIKeyKIGKNPWIAWICET-UHFFFAOYSA-N
XLogP3.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze diethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate?
The IUPAC name of diethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate (CID 10853927) is diethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate.
What is the SMILES notation for diethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate?
The canonical SMILES for diethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate is C=C(CC(C)(C(=O)OCC)C(=O)OCC)OCC[Si](C)(C)C.
What is the InChIKey of diethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate?
The InChIKey is KIGKNPWIAWICET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-8-19-14(17)16(4,15(18)20-9-2)12-13(3)21-10-11-22(5,6)7/h3,8-12H2,1-2,4-7H3.
What are the key properties of diethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate?
diethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate has a molecular weight of 330.50 g/mol, XLogP of 3.38, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methyl-2-[2-(2-trimethylsilylethoxy)prop-2-enyl]propanedioate is sourced from PubChem (CID 10853927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).