2-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid

C11H21FO4Si — CID 163256814

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1(C(=O)O)CC(F)CO1
InChIInChI=1S/C11H21FO4Si/c1-10(2,3)17(4,5)16-11(9(13)14)6-8(12)7-15-11/h8H,6-7H2,1-5H3,(H,13,14)
InChIKeySRKNNEJNINKMLY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.55
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid

2-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid (PubChem CID 163256814) has the molecular formula C11H21FO4Si and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid
PubChem CID163256814
Molecular FormulaC11H21FO4Si
Molecular Weight264.37 g/mol
Exact Mass264.12
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1(C(=O)O)CC(F)CO1
InChIInChI=1S/C11H21FO4Si/c1-10(2,3)17(4,5)16-11(9(13)14)6-8(12)7-15-11/h8H,6-7H2,1-5H3,(H,13,14)
InChIKeySRKNNEJNINKMLY-UHFFFAOYSA-N
XLogP2.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid (CID 163256814) is 2-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid is CC(C)(C)[Si](C)(C)OC1(C(=O)O)CC(F)CO1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid?
The InChIKey is SRKNNEJNINKMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO4Si/c1-10(2,3)17(4,5)16-11(9(13)14)6-8(12)7-15-11/h8H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid?
2-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid is sourced from PubChem (CID 163256814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).