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

C15H28O4Si — CID 11174096

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-9-12-13(19-15(5,6)18-12)11(16)10-17-20(7,8)14(2,3)4/h9,12-13H,1,10H2,2-8H3/t12-,13+/m0/s1
InChIKeyCJTGRJJZSCFJMY-QWHCGFSZSA-N
MW300.47 g/mol
LogP3.28
Rot. Bonds5

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

2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (PubChem CID 11174096) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
PubChem CID11174096
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-9-12-13(19-15(5,6)18-12)11(16)10-17-20(7,8)14(2,3)4/h9,12-13H,1,10H2,2-8H3/t12-,13+/m0/s1
InChIKeyCJTGRJJZSCFJMY-QWHCGFSZSA-N
XLogP3.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 101472099
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone
CID 10087929
CID 59753789
CID 59753789
2-[Tert-butyl(dimethyl)silyl]oxy-1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone
CID 67043399
1-[(4S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one
CID 161509452
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2,5-trimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]ethanone
CID 173743484
(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-one
CID 10736878
ethyl (Z)-3-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11222531
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11426573
[tert-butyl(dimethyl)silyl] (4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 13846564
(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one
CID 15637441
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 53359687

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (CID 11174096) is 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is C=C[C@@H]1OC(C)(C)O[C@@H]1C(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The InChIKey is CJTGRJJZSCFJMY-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-9-12-13(19-15(5,6)18-12)11(16)10-17-20(7,8)14(2,3)4/h9,12-13H,1,10H2,2-8H3/t12-,13+/m0/s1.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone has a molecular weight of 300.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is sourced from PubChem (CID 11174096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).