2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethanone

C16H30O5Si — CID 100933487

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethanone
SMILESC[C@@H]1OC(C)(C)O[C@H]1[C@@H]1O[C@@H]1C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O5Si/c1-10-12(21-16(5,6)20-10)14-13(19-14)11(17)9-18-22(7,8)15(2,3)4/h10,12-14H,9H2,1-8H3/t10-,12+,13+,14-/m0/s1
InChIKeyHKJIDVQHCQMUMP-ASEORRQLSA-N
MW330.50 g/mol
LogP2.88
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethanone

2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethanone (PubChem CID 100933487) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethanone.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethanone
PubChem CID100933487
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethanone
SMILESC[C@@H]1OC(C)(C)O[C@H]1[C@@H]1O[C@@H]1C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O5Si/c1-10-12(21-16(5,6)20-10)14-13(19-14)11(17)9-18-22(7,8)15(2,3)4/h10,12-14H,9H2,1-8H3/t10-,12+,13+,14-/m0/s1
InChIKeyHKJIDVQHCQMUMP-ASEORRQLSA-N
XLogP2.88
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethanone?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethanone (CID 100933487) is 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethanone.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethanone?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethanone is C[C@@H]1OC(C)(C)O[C@H]1[C@@H]1O[C@@H]1C(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethanone?
The InChIKey is HKJIDVQHCQMUMP-ASEORRQLSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-10-12(21-16(5,6)20-10)14-13(19-14)11(17)9-18-22(7,8)15(2,3)4/h10,12-14H,9H2,1-8H3/t10-,12+,13+,14-/m0/s1.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethanone?
2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethanone has a molecular weight of 330.50 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethanone is sourced from PubChem (CID 100933487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).