methyl (E)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate

C13H24O3Si — CID 100982418

IUPACmethyl (E)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate
SMILESCOC(=O)/C=C/CCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-13(2,3)17(5,6)12(15)10-8-7-9-11(14)16-4/h7,9H,8,10H2,1-6H3/b9-7+
InChIKeyMGTYZZWQZAMMID-VQHVLOKHSA-N
MW256.42 g/mol
LogP3.11
Rot. Bonds5

About methyl (E)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate

methyl (E)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate (PubChem CID 100982418) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is methyl (E)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate.

Molecular Properties

Compound Namemethyl (E)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate
PubChem CID100982418
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Namemethyl (E)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate
SMILESCOC(=O)/C=C/CCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-13(2,3)17(5,6)12(15)10-8-7-9-11(14)16-4/h7,9H,8,10H2,1-6H3/b9-7+
InChIKeyMGTYZZWQZAMMID-VQHVLOKHSA-N
XLogP3.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate?
The IUPAC name of methyl (E)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate (CID 100982418) is methyl (E)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate.
What is the SMILES notation for methyl (E)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate?
The canonical SMILES for methyl (E)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate is COC(=O)/C=C/CCC(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate?
The InChIKey is MGTYZZWQZAMMID-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-13(2,3)17(5,6)12(15)10-8-7-9-11(14)16-4/h7,9H,8,10H2,1-6H3/b9-7+.
What are the key properties of methyl (E)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate?
methyl (E)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate has a molecular weight of 256.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate is sourced from PubChem (CID 100982418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).