(3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one

C15H27FO3Si — CID 10685800

IUPAC(3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one
SMILESC=C[C@@H]1C(=O)O[C@@H](C)[C@@H]1O[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H27FO3Si/c1-9-11-12(10(2)18-13(11)17)19-20(16,14(3,4)5)15(6,7)8/h9-12H,1H2,2-8H3/t10-,11-,12-/m0/s1
InChIKeyILIYAACCJIWWKD-SRVKXCTJSA-N
MW302.46 g/mol
LogP4.13
Rot. Bonds3

About (3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one

(3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one (PubChem CID 10685800) has the molecular formula C15H27FO3Si and a molecular weight of 302.46 g/mol. Its IUPAC name is (3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one
PubChem CID10685800
Molecular FormulaC15H27FO3Si
Molecular Weight302.46 g/mol
Exact Mass302.17
IUPAC Name(3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one
SMILESC=C[C@@H]1C(=O)O[C@@H](C)[C@@H]1O[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H27FO3Si/c1-9-11-12(10(2)18-13(11)17)19-20(16,14(3,4)5)15(6,7)8/h9-12H,1H2,2-8H3/t10-,11-,12-/m0/s1
InChIKeyILIYAACCJIWWKD-SRVKXCTJSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.13
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one?
The IUPAC name of (3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one (CID 10685800) is (3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one.
What is the SMILES notation for (3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one?
The canonical SMILES for (3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one is C=C[C@@H]1C(=O)O[C@@H](C)[C@@H]1O[Si](F)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of (3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one?
The InChIKey is ILIYAACCJIWWKD-SRVKXCTJSA-N. The full InChI is InChI=1S/C15H27FO3Si/c1-9-11-12(10(2)18-13(11)17)19-20(16,14(3,4)5)15(6,7)8/h9-12H,1H2,2-8H3/t10-,11-,12-/m0/s1.
What are the key properties of (3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one?
(3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one has a molecular weight of 302.46 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-4-[ditert-butyl(fluoro)silyl]oxy-3-ethenyl-5-methyloxolan-2-one is sourced from PubChem (CID 10685800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).