(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal

C13H25FO2Si — CID 88956755

IUPAC(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal
SMILESC[C@H](/C=C(/F)C=O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25FO2Si/c1-10(8-12(14)9-15)11(2)16-17(6,7)13(3,4)5/h8-11H,1-7H3/b12-8+/t10-,11-/m1/s1
InChIKeyWSNBDLXOFMMUOY-XGFGGAMFSA-N
MW260.43 g/mol
LogP4.09
Rot. Bonds5

About (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal

(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal (PubChem CID 88956755) has the molecular formula C13H25FO2Si and a molecular weight of 260.43 g/mol. Its IUPAC name is (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal.

Molecular Properties

Compound Name(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal
PubChem CID88956755
Molecular FormulaC13H25FO2Si
Molecular Weight260.43 g/mol
Exact Mass260.16
IUPAC Name(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal
SMILESC[C@H](/C=C(/F)C=O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25FO2Si/c1-10(8-12(14)9-15)11(2)16-17(6,7)13(3,4)5/h8-11H,1-7H3/b12-8+/t10-,11-/m1/s1
InChIKeyWSNBDLXOFMMUOY-XGFGGAMFSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal?
The IUPAC name of (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal (CID 88956755) is (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal.
What is the SMILES notation for (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal?
The canonical SMILES for (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal is C[C@H](/C=C(/F)C=O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal?
The InChIKey is WSNBDLXOFMMUOY-XGFGGAMFSA-N. The full InChI is InChI=1S/C13H25FO2Si/c1-10(8-12(14)9-15)11(2)16-17(6,7)13(3,4)5/h8-11H,1-7H3/b12-8+/t10-,11-/m1/s1.
What are the key properties of (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal?
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal has a molecular weight of 260.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal is sourced from PubChem (CID 88956755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).