methyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate

C17H34O3Si2 — CID 14979606

IUPACmethyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate
SMILESCOC(=O)C(C(=C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si2/c1-16(2,3)21(8,9)13(12-18)14(15(19)20-7)22(10,11)17(4,5)6/h14H,1-11H3
InChIKeyKNLDTMVURBLRCZ-UHFFFAOYSA-N
MW342.63 g/mol
LogP4.84
Rot. Bonds4

About methyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate

methyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate (PubChem CID 14979606) has the molecular formula C17H34O3Si2 and a molecular weight of 342.63 g/mol. Its IUPAC name is methyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate.

Molecular Properties

Compound Namemethyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate
PubChem CID14979606
Molecular FormulaC17H34O3Si2
Molecular Weight342.63 g/mol
Exact Mass342.20
IUPAC Namemethyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate
SMILESCOC(=O)C(C(=C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si2/c1-16(2,3)21(8,9)13(12-18)14(15(19)20-7)22(10,11)17(4,5)6/h14H,1-11H3
InChIKeyKNLDTMVURBLRCZ-UHFFFAOYSA-N
XLogP4.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.63
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate?
The IUPAC name of methyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate (CID 14979606) is methyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate.
What is the SMILES notation for methyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate?
The canonical SMILES for methyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate is COC(=O)C(C(=C=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate?
The InChIKey is KNLDTMVURBLRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si2/c1-16(2,3)21(8,9)13(12-18)14(15(19)20-7)22(10,11)17(4,5)6/h14H,1-11H3.
What are the key properties of methyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate?
methyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate has a molecular weight of 342.63 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate is sourced from PubChem (CID 14979606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).