ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate

C12H23FO3Si — CID 23394328

IUPACethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate
SMILESCCOC(=O)/C(F)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23FO3Si/c1-7-15-11(14)10(13)8-9-16-17(5,6)12(2,3)4/h8H,7,9H2,1-6H3/b10-8-
InChIKeyQBFWVKHQOMFBJA-NTMALXAHSA-N
MW262.40 g/mol
LogP3.42
Rot. Bonds5

About ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate

ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate (PubChem CID 23394328) has the molecular formula C12H23FO3Si and a molecular weight of 262.40 g/mol. Its IUPAC name is ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate
PubChem CID23394328
Molecular FormulaC12H23FO3Si
Molecular Weight262.40 g/mol
Exact Mass262.14
IUPAC Nameethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate
SMILESCCOC(=O)/C(F)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23FO3Si/c1-7-15-11(14)10(13)8-9-16-17(5,6)12(2,3)4/h8H,7,9H2,1-6H3/b10-8-
InChIKeyQBFWVKHQOMFBJA-NTMALXAHSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.42
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 ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate?
The IUPAC name of ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate (CID 23394328) is ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate.
What is the SMILES notation for ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate?
The canonical SMILES for ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate is CCOC(=O)/C(F)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate?
The InChIKey is QBFWVKHQOMFBJA-NTMALXAHSA-N. The full InChI is InChI=1S/C12H23FO3Si/c1-7-15-11(14)10(13)8-9-16-17(5,6)12(2,3)4/h8H,7,9H2,1-6H3/b10-8-.
What are the key properties of ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate?
ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate has a molecular weight of 262.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate is sourced from PubChem (CID 23394328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).