ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate

C15H28O4Si — CID 71600178

IUPACethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate
SMILESCCOC(=O)CC(O[Si](C)(C)C(C)(C)C)/C(C)=C/C=O
InChIInChI=1S/C15H28O4Si/c1-8-18-14(17)11-13(12(2)9-10-16)19-20(6,7)15(3,4)5/h9-10,13H,8,11H2,1-7H3/b12-9+
InChIKeyVOMFPMJJGJHISK-FMIVXFBMSA-N
MW300.47 g/mol
LogP3.48
Rot. Bonds7

About ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate

ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate (PubChem CID 71600178) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate
PubChem CID71600178
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Nameethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate
SMILESCCOC(=O)CC(O[Si](C)(C)C(C)(C)C)/C(C)=C/C=O
InChIInChI=1S/C15H28O4Si/c1-8-18-14(17)11-13(12(2)9-10-16)19-20(6,7)15(3,4)5/h9-10,13H,8,11H2,1-7H3/b12-9+
InChIKeyVOMFPMJJGJHISK-FMIVXFBMSA-N
XLogP3.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate?
The IUPAC name of ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate (CID 71600178) is ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate.
What is the SMILES notation for ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate?
The canonical SMILES for ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate is CCOC(=O)CC(O[Si](C)(C)C(C)(C)C)/C(C)=C/C=O.
What is the InChIKey of ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate?
The InChIKey is VOMFPMJJGJHISK-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-8-18-14(17)11-13(12(2)9-10-16)19-20(6,7)15(3,4)5/h9-10,13H,8,11H2,1-7H3/b12-9+.
What are the key properties of ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate?
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate has a molecular weight of 300.47 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-oxohex-4-enoate is sourced from PubChem (CID 71600178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).