(E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal

C13H25FO2Si — CID 88610366

IUPAC(E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal
SMILESCCCC(C)(C)[Si](C)(C)OCC/C=C(/F)C=O
InChIInChI=1S/C13H25FO2Si/c1-6-9-13(2,3)17(4,5)16-10-7-8-12(14)11-15/h8,11H,6-7,9-10H2,1-5H3/b12-8+
InChIKeyDYZWYDQVSSRRNO-XYOKQWHBSA-N
MW260.42 g/mol
LogP4.23
Rot. Bonds8

About (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal

(E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal (PubChem CID 88610366) has the molecular formula C13H25FO2Si and a molecular weight of 260.42 g/mol. Its IUPAC name is (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal.

Molecular Properties

Compound Name(E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal
PubChem CID88610366
Molecular FormulaC13H25FO2Si
Molecular Weight260.42 g/mol
Exact Mass260.16
IUPAC Name(E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal
SMILESCCCC(C)(C)[Si](C)(C)OCC/C=C(/F)C=O
InChIInChI=1S/C13H25FO2Si/c1-6-9-13(2,3)17(4,5)16-10-7-8-12(14)11-15/h8,11H,6-7,9-10H2,1-5H3/b12-8+
InChIKeyDYZWYDQVSSRRNO-XYOKQWHBSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.23
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 (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal?
The IUPAC name of (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal (CID 88610366) is (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal.
What is the SMILES notation for (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal?
The canonical SMILES for (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal is CCCC(C)(C)[Si](C)(C)OCC/C=C(/F)C=O.
What is the InChIKey of (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal?
The InChIKey is DYZWYDQVSSRRNO-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H25FO2Si/c1-6-9-13(2,3)17(4,5)16-10-7-8-12(14)11-15/h8,11H,6-7,9-10H2,1-5H3/b12-8+.
What are the key properties of (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal?
(E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal has a molecular weight of 260.42 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal is sourced from PubChem (CID 88610366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).