ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-3-enoate

C13H25FO3Si — CID 101176670

IUPACethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-3-enoate
SMILESCCOC(=O)C(F)/C=C/CO[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/h8-9,11H,7,10H2,1-6H3/b9-8+
InChIKeyWWABBHVWKZVBRL-CMDGGOBGSA-N
MW276.42 g/mol
LogP3.47
Rot. Bonds6

About ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-3-enoate

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-3-enoate (PubChem CID 101176670) 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-3-enoate.

Molecular Properties

Compound Nameethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-3-enoate
PubChem CID101176670
Molecular FormulaC13H25FO3Si
Molecular Weight276.42 g/mol
Exact Mass276.16
IUPAC Nameethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-3-enoate
SMILESCCOC(=O)C(F)/C=C/CO[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/h8-9,11H,7,10H2,1-6H3/b9-8+
InChIKeyWWABBHVWKZVBRL-CMDGGOBGSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoro-4-methylhex-3-enoate
CID 10853303
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
CID 10966769
ethyl (E)-2-trimethylsilylpent-3-enoate
CID 13217741
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 13701602
methyl (E,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 13701603
methyl (E,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 13701604
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate
CID 15921993
[(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate
CID 102486407
methyl (Z,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 139263596
methyl (Z,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 139263597
ethyl (E)-2-triethylsilylpent-3-enoate
CID 145865775
Ethyl 4-methyl-2-trimethylsilylpent-3-enoate
CID 145865776

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-3-enoate?
The IUPAC name of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-3-enoate (CID 101176670) is ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-3-enoate.
What is the SMILES notation for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-3-enoate?
The canonical SMILES for ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-3-enoate is CCOC(=O)C(F)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-3-enoate?
The InChIKey is WWABBHVWKZVBRL-CMDGGOBGSA-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/h8-9,11H,7,10H2,1-6H3/b9-8+.
What are the key properties of ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-3-enoate?
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-3-enoate has a molecular weight of 276.42 g/mol, XLogP of 3.47, 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-3-enoate is sourced from PubChem (CID 101176670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).