[(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate

C17H34O5Si — CID 10521544

IUPAC[(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate
SMILESCC(=O)OC[C@H](C)[C@@H](OC(C)=O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O5Si/c1-12(10-20-14(3)18)16(22-15(4)19)13(2)11-21-23(8,9)17(5,6)7/h12-13,16H,10-11H2,1-9H3/t12-,13+,16+/m0/s1
InChIKeyJFZVAKGIJCDKIZ-WOSRLPQWSA-N
MW346.54 g/mol
LogP3.78
Rot. Bonds8

About [(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate

[(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate (PubChem CID 10521544) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is [(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate.

Molecular Properties

Compound Name[(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate
PubChem CID10521544
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name[(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate
SMILESCC(=O)OC[C@H](C)[C@@H](OC(C)=O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O5Si/c1-12(10-20-14(3)18)16(22-15(4)19)13(2)11-21-23(8,9)17(5,6)7/h12-13,16H,10-11H2,1-9H3/t12-,13+,16+/m0/s1
InChIKeyJFZVAKGIJCDKIZ-WOSRLPQWSA-N
XLogP3.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate?
The IUPAC name of [(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate (CID 10521544) is [(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate.
What is the SMILES notation for [(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate?
The canonical SMILES for [(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate is CC(=O)OC[C@H](C)[C@@H](OC(C)=O)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate?
The InChIKey is JFZVAKGIJCDKIZ-WOSRLPQWSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-12(10-20-14(3)18)16(22-15(4)19)13(2)11-21-23(8,9)17(5,6)7/h12-13,16H,10-11H2,1-9H3/t12-,13+,16+/m0/s1.
What are the key properties of [(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate?
[(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate has a molecular weight of 346.54 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentyl] acetate is sourced from PubChem (CID 10521544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).