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

C11H21FO2Si — CID 54231229

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCC=C(F)C=O
InChIInChI=1S/C11H21FO2Si/c1-11(2,3)15(4,5)14-8-6-7-10(12)9-13/h7,9H,6,8H2,1-5H3
InChIKeyQJKBGZCFNFHPPE-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.45
Rot. Bonds5

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

5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal (PubChem CID 54231229) has the molecular formula C11H21FO2Si and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal
PubChem CID54231229
Molecular FormulaC11H21FO2Si
Molecular Weight232.37 g/mol
Exact Mass232.13
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCC=C(F)C=O
InChIInChI=1S/C11H21FO2Si/c1-11(2,3)15(4,5)14-8-6-7-10(12)9-13/h7,9H,6,8H2,1-5H3
InChIKeyQJKBGZCFNFHPPE-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-enal?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal (CID 54231229) is 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal is CC(C)(C)[Si](C)(C)OCCC=C(F)C=O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal?
The InChIKey is QJKBGZCFNFHPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO2Si/c1-11(2,3)15(4,5)14-8-6-7-10(12)9-13/h7,9H,6,8H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal?
5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal has a molecular weight of 232.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 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-enal is sourced from PubChem (CID 54231229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).