ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate

C13H24O4Si — CID 15224155

IUPACethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate
SMILESCCOC(=O)/C=C/C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O4Si/c1-7-16-12(15)9-8-11(14)10-17-18(5,6)13(2,3)4/h8-9H,7,10H2,1-6H3/b9-8+
InChIKeyYTFSWPYZEMWYAS-CMDGGOBGSA-N
MW272.42 g/mol
LogP2.70
Rot. Bonds6

About ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate (PubChem CID 15224155) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate
PubChem CID15224155
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Nameethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate
SMILESCCOC(=O)/C=C/C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O4Si/c1-7-16-12(15)9-8-11(14)10-17-18(5,6)13(2,3)4/h8-9H,7,10H2,1-6H3/b9-8+
InChIKeyYTFSWPYZEMWYAS-CMDGGOBGSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate?
The IUPAC name of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate (CID 15224155) is ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate.
What is the SMILES notation for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate?
The canonical SMILES for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate is CCOC(=O)/C=C/C(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate?
The InChIKey is YTFSWPYZEMWYAS-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-7-16-12(15)9-8-11(14)10-17-18(5,6)13(2,3)4/h8-9H,7,10H2,1-6H3/b9-8+.
What are the key properties of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate?
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate has a molecular weight of 272.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxopent-2-enoate is sourced from PubChem (CID 15224155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).