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

C15H30O4Si — CID 16756248

IUPAC1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESCC(=O)[C@@H]1OC(C)(C)O[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-11(16)13-12(18-15(5,6)19-13)9-10-17-20(7,8)14(2,3)4/h12-13H,9-10H2,1-8H3/t12-,13-/m0/s1
InChIKeyQZOMJGDFJZSAPB-STQMWFEESA-N
MW302.49 g/mol
LogP3.51
Rot. Bonds5

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

1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (PubChem CID 16756248) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.

Molecular Properties

Compound Name1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
PubChem CID16756248
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESCC(=O)[C@@H]1OC(C)(C)O[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O4Si/c1-11(16)13-12(18-15(5,6)19-13)9-10-17-20(7,8)14(2,3)4/h12-13H,9-10H2,1-8H3/t12-,13-/m0/s1
InChIKeyQZOMJGDFJZSAPB-STQMWFEESA-N
XLogP3.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11033068
methyl (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 102587266
1-[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 134839849
1-[2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one
CID 134856017
4-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one
CID 135039821
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-propanoyl-1,3-dioxolan-4-yl]propan-1-one
CID 162402950
2,2-Dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)-propyl]-[1,3]dioxolane-4-carboxaldehyde
CID 552050
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxobutanoate
CID 101161100
5-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 58750323
(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 59466677
1-[(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-iodoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one
CID 157261517
1-[(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one
CID 158426082

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The IUPAC name of 1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (CID 16756248) is 1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.
What is the SMILES notation for 1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The canonical SMILES for 1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is CC(=O)[C@@H]1OC(C)(C)O[C@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The InChIKey is QZOMJGDFJZSAPB-STQMWFEESA-N. The full InChI is InChI=1S/C15H30O4Si/c1-11(16)13-12(18-15(5,6)19-13)9-10-17-20(7,8)14(2,3)4/h12-13H,9-10H2,1-8H3/t12-,13-/m0/s1.
What are the key properties of 1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone has a molecular weight of 302.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is sourced from PubChem (CID 16756248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).