[(2S,3S)-2-triethylsilyloxolan-3-yl] acetate

C12H24O3Si — CID 101434469

IUPAC[(2S,3S)-2-triethylsilyloxolan-3-yl] acetate
SMILESCC[Si](CC)(CC)[C@@H]1OCC[C@@H]1OC(C)=O
InChIInChI=1S/C12H24O3Si/c1-5-16(6-2,7-3)12-11(8-9-14-12)15-10(4)13/h11-12H,5-9H2,1-4H3/t11-,12-/m0/s1
InChIKeyAXXDGAOLMFGOOR-RYUDHWBXSA-N
MW244.41 g/mol
LogP2.75
Rot. Bonds5

About [(2S,3S)-2-triethylsilyloxolan-3-yl] acetate

[(2S,3S)-2-triethylsilyloxolan-3-yl] acetate (PubChem CID 101434469) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is [(2S,3S)-2-triethylsilyloxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-2-triethylsilyloxolan-3-yl] acetate
PubChem CID101434469
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name[(2S,3S)-2-triethylsilyloxolan-3-yl] acetate
SMILESCC[Si](CC)(CC)[C@@H]1OCC[C@@H]1OC(C)=O
InChIInChI=1S/C12H24O3Si/c1-5-16(6-2,7-3)12-11(8-9-14-12)15-10(4)13/h11-12H,5-9H2,1-4H3/t11-,12-/m0/s1
InChIKeyAXXDGAOLMFGOOR-RYUDHWBXSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
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 [(2S,3S)-2-triethylsilyloxolan-3-yl] acetate?
The IUPAC name of [(2S,3S)-2-triethylsilyloxolan-3-yl] acetate (CID 101434469) is [(2S,3S)-2-triethylsilyloxolan-3-yl] acetate.
What is the SMILES notation for [(2S,3S)-2-triethylsilyloxolan-3-yl] acetate?
The canonical SMILES for [(2S,3S)-2-triethylsilyloxolan-3-yl] acetate is CC[Si](CC)(CC)[C@@H]1OCC[C@@H]1OC(C)=O.
What is the InChIKey of [(2S,3S)-2-triethylsilyloxolan-3-yl] acetate?
The InChIKey is AXXDGAOLMFGOOR-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-5-16(6-2,7-3)12-11(8-9-14-12)15-10(4)13/h11-12H,5-9H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of [(2S,3S)-2-triethylsilyloxolan-3-yl] acetate?
[(2S,3S)-2-triethylsilyloxolan-3-yl] acetate has a molecular weight of 244.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-triethylsilyloxolan-3-yl] acetate is sourced from PubChem (CID 101434469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).