5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoic acid

C11H21FO3Si — CID 150565520

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCCC=C(F)C(=O)O
InChIInChI=1S/C11H21FO3Si/c1-11(2,3)16(4,5)15-8-6-7-9(12)10(13)14/h7H,6,8H2,1-5H3,(H,13,14)
InChIKeyIKTIMIOETUEXBX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.34
Rot. Bonds5

About 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoic acid

5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoic acid (PubChem CID 150565520) has the molecular formula C11H21FO3Si and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoic acid.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoic acid
PubChem CID150565520
Molecular FormulaC11H21FO3Si
Molecular Weight248.37 g/mol
Exact Mass248.12
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCCC=C(F)C(=O)O
InChIInChI=1S/C11H21FO3Si/c1-11(2,3)16(4,5)15-8-6-7-9(12)10(13)14/h7H,6,8H2,1-5H3,(H,13,14)
InChIKeyIKTIMIOETUEXBX-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoic acid?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoic acid (CID 150565520) is 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoic acid.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoic acid?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoic acid is CC(C)(C)[Si](C)(C)OCCC=C(F)C(=O)O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoic acid?
The InChIKey is IKTIMIOETUEXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO3Si/c1-11(2,3)16(4,5)15-8-6-7-9(12)10(13)14/h7H,6,8H2,1-5H3,(H,13,14).
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoic acid?
5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoic acid has a molecular weight of 248.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoic acid is sourced from PubChem (CID 150565520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).