3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde

C11H21FO3Si — CID 175762163

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1C(F)COC1C=O
InChIInChI=1S/C11H21FO3Si/c1-11(2,3)16(4,5)15-10-8(12)7-14-9(10)6-13/h6,8-10H,7H2,1-5H3
InChIKeyAAHVNPYEVGNHQB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.31
Rot. Bonds3

About 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde

3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde (PubChem CID 175762163) has the molecular formula C11H21FO3Si and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde
PubChem CID175762163
Molecular FormulaC11H21FO3Si
Molecular Weight248.37 g/mol
Exact Mass248.12
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1C(F)COC1C=O
InChIInChI=1S/C11H21FO3Si/c1-11(2,3)16(4,5)15-10-8(12)7-14-9(10)6-13/h6,8-10H,7H2,1-5H3
InChIKeyAAHVNPYEVGNHQB-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde (CID 175762163) is 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde is CC(C)(C)[Si](C)(C)OC1C(F)COC1C=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde?
The InChIKey is AAHVNPYEVGNHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO3Si/c1-11(2,3)16(4,5)15-10-8(12)7-14-9(10)6-13/h6,8-10H,7H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde?
3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde has a molecular weight of 248.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde is sourced from PubChem (CID 175762163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).