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

C13H25FO3Si — CID 59912784

IUPACethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
SMILESCCOC(=O)/C(F)=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25FO3Si/c1-7-16-12(15)11(14)9-8-10-17-18(5,6)13(2,3)4/h9H,7-8,10H2,1-6H3/b11-9+
InChIKeyJINVTOCRUUCTMW-PKNBQFBNSA-N
MW276.42 g/mol
LogP3.81
Rot. Bonds6

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

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate (PubChem CID 59912784) has the molecular formula C13H25FO3Si and a molecular weight of 276.42 g/mol. Its IUPAC name is ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
PubChem CID59912784
Molecular FormulaC13H25FO3Si
Molecular Weight276.42 g/mol
Exact Mass276.16
IUPAC Nameethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
SMILESCCOC(=O)/C(F)=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25FO3Si/c1-7-16-12(15)11(14)9-8-10-17-18(5,6)13(2,3)4/h9H,7-8,10H2,1-6H3/b11-9+
InChIKeyJINVTOCRUUCTMW-PKNBQFBNSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate?
The IUPAC name of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate (CID 59912784) is ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate.
What is the SMILES notation for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate?
The canonical SMILES for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate is CCOC(=O)/C(F)=C\CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate?
The InChIKey is JINVTOCRUUCTMW-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H25FO3Si/c1-7-16-12(15)11(14)9-8-10-17-18(5,6)13(2,3)4/h9H,7-8,10H2,1-6H3/b11-9+.
What are the key properties of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate?
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate has a molecular weight of 276.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate is sourced from PubChem (CID 59912784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).