[2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate

C14H24O4Si — CID 19019873

IUPAC[2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate
SMILESCC[Si](CC)(CC)c1cc(C(O)COC(C)=O)co1
InChIInChI=1S/C14H24O4Si/c1-5-19(6-2,7-3)14-8-12(9-18-14)13(16)10-17-11(4)15/h8-9,13,16H,5-7,10H2,1-4H3
InChIKeyJPZWCYMEIGIPNH-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.59
Rot. Bonds7

About [2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate

[2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate (PubChem CID 19019873) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is [2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate.

Molecular Properties

Compound Name[2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate
PubChem CID19019873
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Name[2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate
SMILESCC[Si](CC)(CC)c1cc(C(O)COC(C)=O)co1
InChIInChI=1S/C14H24O4Si/c1-5-19(6-2,7-3)14-8-12(9-18-14)13(16)10-17-11(4)15/h8-9,13,16H,5-7,10H2,1-4H3
InChIKeyJPZWCYMEIGIPNH-UHFFFAOYSA-N
XLogP2.59
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
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 [2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate?
The IUPAC name of [2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate (CID 19019873) is [2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate.
What is the SMILES notation for [2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate?
The canonical SMILES for [2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate is CC[Si](CC)(CC)c1cc(C(O)COC(C)=O)co1.
What is the InChIKey of [2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate?
The InChIKey is JPZWCYMEIGIPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-5-19(6-2,7-3)14-8-12(9-18-14)13(16)10-17-11(4)15/h8-9,13,16H,5-7,10H2,1-4H3.
What are the key properties of [2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate?
[2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate has a molecular weight of 284.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate is sourced from PubChem (CID 19019873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).