dimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate

C13H22O4Si — CID 164685272

IUPACdimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate
SMILESCOC(=O)C(C)(CC=C=C[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C13H22O4Si/c1-13(11(14)16-2,12(15)17-3)9-7-8-10-18(4,5)6/h7,10H,9H2,1-6H3
InChIKeyGQJGFZQZVAMIPM-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.32
Rot. Bonds5

About dimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate

dimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate (PubChem CID 164685272) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is dimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate
PubChem CID164685272
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Namedimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate
SMILESCOC(=O)C(C)(CC=C=C[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C13H22O4Si/c1-13(11(14)16-2,12(15)17-3)9-7-8-10-18(4,5)6/h7,10H,9H2,1-6H3
InChIKeyGQJGFZQZVAMIPM-UHFFFAOYSA-N
XLogP2.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.32
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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Related Compounds

Dimethyl 2-(5,5-dimethylhexa-2,3-dienyl)-2-methylpropanedioate
CID 11161130
diethyl 2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
CID 12741310
dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
CID 101121422
Dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate
CID 101128127
dimethyl 2-(4-methylpenta-2,3-dienyl)-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
CID 101256703
Dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate
CID 102262887
Dimethyl 2-prop-2-enyl-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 102377345
dimethyl 2-but-2-ynyl-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate
CID 102455543
Triethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate
CID 134943726
diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate
CID 134981047
Dimethyl 2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate
CID 164686935
Triethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate
CID 10497649

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate?
The IUPAC name of dimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate (CID 164685272) is dimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate.
What is the SMILES notation for dimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate?
The canonical SMILES for dimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate is COC(=O)C(C)(CC=C=C[Si](C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate?
The InChIKey is GQJGFZQZVAMIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-13(11(14)16-2,12(15)17-3)9-7-8-10-18(4,5)6/h7,10H,9H2,1-6H3.
What are the key properties of dimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate?
dimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate has a molecular weight of 270.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methyl-2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate is sourced from PubChem (CID 164685272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).