dimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate

C15H24O4Si — CID 102377336

IUPACdimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
SMILESC=CCCC(CC#C[Si](C)(C)C)(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H24O4Si/c1-7-8-10-15(13(16)18-2,14(17)19-3)11-9-12-20(4,5)6/h7H,1,8,10-11H2,2-6H3
InChIKeyWZDPNBYJMLFCPG-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.56
Rot. Bonds6

About dimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate

dimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate (PubChem CID 102377336) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is dimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
PubChem CID102377336
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Namedimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
SMILESC=CCCC(CC#C[Si](C)(C)C)(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H24O4Si/c1-7-8-10-15(13(16)18-2,14(17)19-3)11-9-12-20(4,5)6/h7H,1,8,10-11H2,2-6H3
InChIKeyWZDPNBYJMLFCPG-UHFFFAOYSA-N
XLogP2.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.56
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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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The IUPAC name of dimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate (CID 102377336) is dimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate.
What is the SMILES notation for dimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The canonical SMILES for dimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate is C=CCCC(CC#C[Si](C)(C)C)(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
The InChIKey is WZDPNBYJMLFCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-7-8-10-15(13(16)18-2,14(17)19-3)11-9-12-20(4,5)6/h7H,1,8,10-11H2,2-6H3.
What are the key properties of dimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate?
dimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate has a molecular weight of 296.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-but-3-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate is sourced from PubChem (CID 102377336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).