methyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate

C11H20O4Si — CID 11128548

IUPACmethyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate
SMILESC=C(C)/C(C(=O)OC)=C(/OC)O[Si](C)(C)C
InChIInChI=1S/C11H20O4Si/c1-8(2)9(10(12)13-3)11(14-4)15-16(5,6)7/h1H2,2-7H3/b11-9+
InChIKeyIPVBTSOYECGSFF-PKNBQFBNSA-N
MW244.36 g/mol
LogP2.44
Rot. Bonds5

About methyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate

methyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate (PubChem CID 11128548) has the molecular formula C11H20O4Si and a molecular weight of 244.36 g/mol. Its IUPAC name is methyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate.

Molecular Properties

Compound Namemethyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate
PubChem CID11128548
Molecular FormulaC11H20O4Si
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Namemethyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate
SMILESC=C(C)/C(C(=O)OC)=C(/OC)O[Si](C)(C)C
InChIInChI=1S/C11H20O4Si/c1-8(2)9(10(12)13-3)11(14-4)15-16(5,6)7/h1H2,2-7H3/b11-9+
InChIKeyIPVBTSOYECGSFF-PKNBQFBNSA-N
XLogP2.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate?
The IUPAC name of methyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate (CID 11128548) is methyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate.
What is the SMILES notation for methyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate?
The canonical SMILES for methyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate is C=C(C)/C(C(=O)OC)=C(/OC)O[Si](C)(C)C.
What is the InChIKey of methyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate?
The InChIKey is IPVBTSOYECGSFF-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H20O4Si/c1-8(2)9(10(12)13-3)11(14-4)15-16(5,6)7/h1H2,2-7H3/b11-9+.
What are the key properties of methyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate?
methyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate has a molecular weight of 244.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-[methoxy(trimethylsilyloxy)methylidene]-3-methylbut-3-enoate is sourced from PubChem (CID 11128548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).