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

C12H20O4Si — CID 164686935

IUPACdimethyl 2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate
SMILESCOC(=O)C(CC=C=C[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C12H20O4Si/c1-15-11(13)10(12(14)16-2)8-6-7-9-17(3,4)5/h6,9-10H,8H2,1-5H3
InChIKeyUGOGKYVXGFZYHR-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.93
Rot. Bonds5

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

dimethyl 2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate (PubChem CID 164686935) has the molecular formula C12H20O4Si and a molecular weight of 256.37 g/mol. Its IUPAC name is dimethyl 2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate
PubChem CID164686935
Molecular FormulaC12H20O4Si
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Namedimethyl 2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate
SMILESCOC(=O)C(CC=C=C[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C12H20O4Si/c1-15-11(13)10(12(14)16-2)8-6-7-9-17(3,4)5/h6,9-10H,8H2,1-5H3
InChIKeyUGOGKYVXGFZYHR-UHFFFAOYSA-N
XLogP1.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.93
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-(4-trimethylsilylbuta-2,3-dienyl)propanedioate?
The IUPAC name of dimethyl 2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate (CID 164686935) is dimethyl 2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate.
What is the SMILES notation for dimethyl 2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate?
The canonical SMILES for dimethyl 2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate is COC(=O)C(CC=C=C[Si](C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate?
The InChIKey is UGOGKYVXGFZYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4Si/c1-15-11(13)10(12(14)16-2)8-6-7-9-17(3,4)5/h6,9-10H,8H2,1-5H3.
What are the key properties of dimethyl 2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate?
dimethyl 2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate has a molecular weight of 256.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(4-trimethylsilylbuta-2,3-dienyl)propanedioate is sourced from PubChem (CID 164686935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).