dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate

C14H24O4Si — CID 101121422

IUPACdimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
SMILESC=CCC(C/C=C/[Si](C)(C)C)(C(=O)OC)C(=O)OC
InChIInChI=1S/C14H24O4Si/c1-7-9-14(12(15)17-2,13(16)18-3)10-8-11-19(4,5)6/h7-8,11H,1,9-10H2,2-6H3/b11-8+
InChIKeyKHLPYQBIQDBQCN-DHZHZOJOSA-N
MW284.43 g/mol
LogP2.72
Rot. Bonds7

About dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate

dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate (PubChem CID 101121422) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
PubChem CID101121422
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Namedimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
SMILESC=CCC(C/C=C/[Si](C)(C)C)(C(=O)OC)C(=O)OC
InChIInChI=1S/C14H24O4Si/c1-7-9-14(12(15)17-2,13(16)18-3)10-8-11-19(4,5)6/h7-8,11H,1,9-10H2,2-6H3/b11-8+
InChIKeyKHLPYQBIQDBQCN-DHZHZOJOSA-N
XLogP2.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.72
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'}

Analyze dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-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 dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate?
The IUPAC name of dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate (CID 101121422) is dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate?
The canonical SMILES for dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate is C=CCC(C/C=C/[Si](C)(C)C)(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate?
The InChIKey is KHLPYQBIQDBQCN-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-7-9-14(12(15)17-2,13(16)18-3)10-8-11-19(4,5)6/h7-8,11H,1,9-10H2,2-6H3/b11-8+.
What are the key properties of dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate?
dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate has a molecular weight of 284.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate is sourced from PubChem (CID 101121422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).