dimethyl 2-methyl-2-[(E)-3-triethylsilylbut-2-enyl]propanedioate

C16H30O4Si — CID 12971454

IUPACdimethyl 2-methyl-2-[(E)-3-triethylsilylbut-2-enyl]propanedioate
SMILESCC[Si](CC)(CC)/C(C)=C/CC(C)(C(=O)OC)C(=O)OC
InChIInChI=1S/C16H30O4Si/c1-8-21(9-2,10-3)13(4)11-12-16(5,14(17)19-6)15(18)20-7/h11H,8-10,12H2,1-7H3/b13-11+
InChIKeyCVAHDMURGALAHR-ACCUITESSA-N
MW314.50 g/mol
LogP3.72
Rot. Bonds8

About dimethyl 2-methyl-2-[(E)-3-triethylsilylbut-2-enyl]propanedioate

dimethyl 2-methyl-2-[(E)-3-triethylsilylbut-2-enyl]propanedioate (PubChem CID 12971454) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is dimethyl 2-methyl-2-[(E)-3-triethylsilylbut-2-enyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-methyl-2-[(E)-3-triethylsilylbut-2-enyl]propanedioate
PubChem CID12971454
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Namedimethyl 2-methyl-2-[(E)-3-triethylsilylbut-2-enyl]propanedioate
SMILESCC[Si](CC)(CC)/C(C)=C/CC(C)(C(=O)OC)C(=O)OC
InChIInChI=1S/C16H30O4Si/c1-8-21(9-2,10-3)13(4)11-12-16(5,14(17)19-6)15(18)20-7/h11H,8-10,12H2,1-7H3/b13-11+
InChIKeyCVAHDMURGALAHR-ACCUITESSA-N
XLogP3.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.72
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'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methyl-2-[(E)-3-triethylsilylbut-2-enyl]propanedioate?
The IUPAC name of dimethyl 2-methyl-2-[(E)-3-triethylsilylbut-2-enyl]propanedioate (CID 12971454) is dimethyl 2-methyl-2-[(E)-3-triethylsilylbut-2-enyl]propanedioate.
What is the SMILES notation for dimethyl 2-methyl-2-[(E)-3-triethylsilylbut-2-enyl]propanedioate?
The canonical SMILES for dimethyl 2-methyl-2-[(E)-3-triethylsilylbut-2-enyl]propanedioate is CC[Si](CC)(CC)/C(C)=C/CC(C)(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-methyl-2-[(E)-3-triethylsilylbut-2-enyl]propanedioate?
The InChIKey is CVAHDMURGALAHR-ACCUITESSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-8-21(9-2,10-3)13(4)11-12-16(5,14(17)19-6)15(18)20-7/h11H,8-10,12H2,1-7H3/b13-11+.
What are the key properties of dimethyl 2-methyl-2-[(E)-3-triethylsilylbut-2-enyl]propanedioate?
dimethyl 2-methyl-2-[(E)-3-triethylsilylbut-2-enyl]propanedioate has a molecular weight of 314.50 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methyl-2-[(E)-3-triethylsilylbut-2-enyl]propanedioate is sourced from PubChem (CID 12971454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).