methyl (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate

C12H23FO4Si — CID 174102624

IUPACmethyl (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate
SMILESCOC(=O)[C@@H]1OC[C@H](F)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23FO4Si/c1-12(2,3)18(5,6)17-9-8(13)7-16-10(9)11(14)15-4/h8-10H,7H2,1-6H3/t8-,9?,10+/m0/s1
InChIKeyXXIMSYNJGDANLI-DJBFQZMMSA-N
MW278.40 g/mol
LogP2.29
Rot. Bonds3

About methyl (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate

methyl (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate (PubChem CID 174102624) has the molecular formula C12H23FO4Si and a molecular weight of 278.40 g/mol. Its IUPAC name is methyl (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate
PubChem CID174102624
Molecular FormulaC12H23FO4Si
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Namemethyl (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate
SMILESCOC(=O)[C@@H]1OC[C@H](F)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23FO4Si/c1-12(2,3)18(5,6)17-9-8(13)7-16-10(9)11(14)15-4/h8-10H,7H2,1-6H3/t8-,9?,10+/m0/s1
InChIKeyXXIMSYNJGDANLI-DJBFQZMMSA-N
XLogP2.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate?
The IUPAC name of methyl (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate (CID 174102624) is methyl (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate.
What is the SMILES notation for methyl (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate?
The canonical SMILES for methyl (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate is COC(=O)[C@@H]1OC[C@H](F)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate?
The InChIKey is XXIMSYNJGDANLI-DJBFQZMMSA-N. The full InChI is InChI=1S/C12H23FO4Si/c1-12(2,3)18(5,6)17-9-8(13)7-16-10(9)11(14)15-4/h8-10H,7H2,1-6H3/t8-,9?,10+/m0/s1.
What are the key properties of methyl (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate?
methyl (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate has a molecular weight of 278.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate is sourced from PubChem (CID 174102624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).