methyl (E)-3-methyl-4-trimethylsilylbut-2-enoate

C9H18O2Si — CID 12728270

IUPACmethyl (E)-3-methyl-4-trimethylsilylbut-2-enoate
SMILESCOC(=O)/C=C(\C)C[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(6-9(10)11-2)7-12(3,4)5/h6H,7H2,1-5H3/b8-6+
InChIKeyDXJALKBGTNJNFV-SOFGYWHQSA-N
MW186.33 g/mol
LogP2.44
Rot. Bonds3

About methyl (E)-3-methyl-4-trimethylsilylbut-2-enoate

methyl (E)-3-methyl-4-trimethylsilylbut-2-enoate (PubChem CID 12728270) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is methyl (E)-3-methyl-4-trimethylsilylbut-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-methyl-4-trimethylsilylbut-2-enoate
PubChem CID12728270
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Namemethyl (E)-3-methyl-4-trimethylsilylbut-2-enoate
SMILESCOC(=O)/C=C(\C)C[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(6-9(10)11-2)7-12(3,4)5/h6H,7H2,1-5H3/b8-6+
InChIKeyDXJALKBGTNJNFV-SOFGYWHQSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-methyl-4-trimethylsilylbut-2-enoate?
The IUPAC name of methyl (E)-3-methyl-4-trimethylsilylbut-2-enoate (CID 12728270) is methyl (E)-3-methyl-4-trimethylsilylbut-2-enoate.
What is the SMILES notation for methyl (E)-3-methyl-4-trimethylsilylbut-2-enoate?
The canonical SMILES for methyl (E)-3-methyl-4-trimethylsilylbut-2-enoate is COC(=O)/C=C(\C)C[Si](C)(C)C.
What is the InChIKey of methyl (E)-3-methyl-4-trimethylsilylbut-2-enoate?
The InChIKey is DXJALKBGTNJNFV-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-8(6-9(10)11-2)7-12(3,4)5/h6H,7H2,1-5H3/b8-6+.
What are the key properties of methyl (E)-3-methyl-4-trimethylsilylbut-2-enoate?
methyl (E)-3-methyl-4-trimethylsilylbut-2-enoate has a molecular weight of 186.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-methyl-4-trimethylsilylbut-2-enoate is sourced from PubChem (CID 12728270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).