[(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate

C16H26O4Si — CID 135074338

IUPAC[(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate
SMILESC#CC(O[Si](CC)(CC)CC)[C@H]1O[C@H]1[C@@H](C=C)OC(C)=O
InChIInChI=1S/C16H26O4Si/c1-7-13(18-12(6)17)15-16(19-15)14(8-2)20-21(9-3,10-4)11-5/h2,7,13-16H,1,9-11H2,3-6H3/t13-,14?,15+,16-/m1/s1
InChIKeySGYSPNJJSLTDCN-HEWHGDCOSA-N
MW310.47 g/mol
LogP2.90
Rot. Bonds9

About [(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate

[(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate (PubChem CID 135074338) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is [(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate.

Molecular Properties

Compound Name[(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate
PubChem CID135074338
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Name[(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate
SMILESC#CC(O[Si](CC)(CC)CC)[C@H]1O[C@H]1[C@@H](C=C)OC(C)=O
InChIInChI=1S/C16H26O4Si/c1-7-13(18-12(6)17)15-16(19-15)14(8-2)20-21(9-3,10-4)11-5/h2,7,13-16H,1,9-11H2,3-6H3/t13-,14?,15+,16-/m1/s1
InChIKeySGYSPNJJSLTDCN-HEWHGDCOSA-N
XLogP2.90
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.90
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyhexa-2,4-diynyl)oxiran-2-yl]but-2-enyl] acetate
CID 25210043
[(Z,1R)-4-prop-2-enoxy-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]but-2-enyl] acetate
CID 101513449
[(E)-3-[(2S,3R)-3-[(2R,3S)-3-[7-[tert-butyl(dimethyl)silyl]oxyhepta-1,3,5-triynyl]oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate
CID 134844653
[(Z,1R)-1-[(2S,3S)-3-(9-methyl-1-triethylsilyloxydec-8-en-2,4-diynyl)oxiran-2-yl]-4-prop-2-enoxybut-2-enyl] acetate
CID 135074596
3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane
CID 90797378
[(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
CID 139649640
[(4R,6R)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
CID 139649642
3-[(4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yl]oxypropoxy-tert-butyl-dimethylsilane;3-[(1S)-2-(2,2-dimethylpropanoyloxy)-1-[(2R)-oxiran-2-yl]but-3-enoxy]propyl 2,2-dimethylpropanoate;trimethyl(prop-1-ynyl)silane
CID 159496428
[(3S)-3-acetyloxy-2-[[ethynyl-di(propan-2-yl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
CID 6612738
[(3S,4S)-3-acetyloxy-7-trimethylsilylhept-1-en-6-yn-4-yl] acetate
CID 10564867
[(3R,4R,5R,6R)-4,5,6-triacetyloxyoct-1-en-7-yn-3-yl] acetate
CID 11473262
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-enyl] prop-2-enoate
CID 46187582

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate?
The IUPAC name of [(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate (CID 135074338) is [(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate.
What is the SMILES notation for [(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate?
The canonical SMILES for [(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate is C#CC(O[Si](CC)(CC)CC)[C@H]1O[C@H]1[C@@H](C=C)OC(C)=O.
What is the InChIKey of [(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate?
The InChIKey is SGYSPNJJSLTDCN-HEWHGDCOSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-7-13(18-12(6)17)15-16(19-15)14(8-2)20-21(9-3,10-4)11-5/h2,7,13-16H,1,9-11H2,3-6H3/t13-,14?,15+,16-/m1/s1.
What are the key properties of [(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate?
[(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate has a molecular weight of 310.47 g/mol, XLogP of 2.90, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2S,3S)-3-(1-triethylsilyloxyprop-2-ynyl)oxiran-2-yl]prop-2-enyl] acetate is sourced from PubChem (CID 135074338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).