dimethyl 2-prop-2-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate

C15H24O4Si — CID 101190473

IUPACdimethyl 2-prop-2-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate
SMILESC#CCC(C/C=C/C[Si](C)(C)C)(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H24O4Si/c1-7-10-15(13(16)18-2,14(17)19-3)11-8-9-12-20(4,5)6/h1,8-9H,10-12H2,2-6H3/b9-8+
InChIKeyFCOLFJCDUXYJQH-CMDGGOBGSA-N
MW296.44 g/mol
LogP2.63
Rot. Bonds7

About dimethyl 2-prop-2-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate

dimethyl 2-prop-2-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate (PubChem CID 101190473) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is dimethyl 2-prop-2-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-prop-2-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate
PubChem CID101190473
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Namedimethyl 2-prop-2-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate
SMILESC#CCC(C/C=C/C[Si](C)(C)C)(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H24O4Si/c1-7-10-15(13(16)18-2,14(17)19-3)11-8-9-12-20(4,5)6/h1,8-9H,10-12H2,2-6H3/b9-8+
InChIKeyFCOLFJCDUXYJQH-CMDGGOBGSA-N
XLogP2.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.63
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-[(E)-but-2-enyl]-2-prop-2-ynylpropanedioate
CID 13809211
dimethyl 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-prop-2-ynylpropanedioate
CID 14271069
diethyl 2-[(E)-hex-2-enyl]-2-prop-2-ynylpropanedioate
CID 101198582
dimethyl 2-[(E)-but-2-enyl]-2-(4,4-dimethylpent-2-ynyl)propanedioate
CID 102377337
diethyl 2-[(E)-but-2-enyl]-2-but-2-ynylpropanedioate
CID 10934406
Dimethyl 2-(3-methyl-2-butenyl)-2-(2-propynyl)malonate
CID 11276454
diethyl 2-[(E)-but-2-enyl]-2-prop-2-ynylpropanedioate
CID 23246569
dimethyl 2-but-2-ynyl-2-[(E)-3-cyclopropylprop-2-enyl]propanedioate
CID 10901478
Dimethyl 2-(2-cyclopropylideneethyl)-2-prop-2-ynylpropanedioate
CID 11075410
Diethyl 2-(3-methylbut-2-enyl)-2-prop-2-ynylpropanedioate
CID 11219327
dimethyl 2-[(E)-3-methyl-4-trimethylsilylbut-2-enyl]-2-prop-2-ynylpropanedioate
CID 11243850
dimethyl 2-but-2-ynyl-2-[(2E)-penta-2,4-dienyl]propanedioate
CID 11288150

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-prop-2-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate?
The IUPAC name of dimethyl 2-prop-2-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate (CID 101190473) is dimethyl 2-prop-2-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-prop-2-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate?
The canonical SMILES for dimethyl 2-prop-2-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate is C#CCC(C/C=C/C[Si](C)(C)C)(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-prop-2-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate?
The InChIKey is FCOLFJCDUXYJQH-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-7-10-15(13(16)18-2,14(17)19-3)11-8-9-12-20(4,5)6/h1,8-9H,10-12H2,2-6H3/b9-8+.
What are the key properties of dimethyl 2-prop-2-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate?
dimethyl 2-prop-2-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate has a molecular weight of 296.44 g/mol, XLogP of 2.63, 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-ynyl-2-[(E)-4-trimethylsilylbut-2-enyl]propanedioate is sourced from PubChem (CID 101190473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).