triethyl-[(2S,3S)-2-[(2R,3R)-3-[(2R)-2-methyl-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane

C24H50O3Si2 — CID 171561786

IUPACtriethyl-[(2S,3S)-2-[(2R,3R)-3-[(2R)-2-methyl-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane
SMILESC=C[C@@](C)(C[C@H]1O[C@@H]1[C@H](C)[C@H](CC)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C24H50O3Si2/c1-11-21(26-28(13-3,14-4)15-5)20(9)23-22(25-23)19-24(10,12-2)27-29(16-6,17-7)18-8/h12,20-23H,2,11,13-19H2,1,3-10H3/t20-,21+,22-,23-,24+/m1/s1
InChIKeyDGTPBMBOUDOFGE-HUUMMWPTSA-N
MW442.83 g/mol
LogP7.55
Rot. Bonds16

About triethyl-[(2S,3S)-2-[(2R,3R)-3-[(2R)-2-methyl-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane

triethyl-[(2S,3S)-2-[(2R,3R)-3-[(2R)-2-methyl-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane (PubChem CID 171561786) has the molecular formula C24H50O3Si2 and a molecular weight of 442.83 g/mol. Its IUPAC name is triethyl-[(2S,3S)-2-[(2R,3R)-3-[(2R)-2-methyl-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2S,3S)-2-[(2R,3R)-3-[(2R)-2-methyl-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane
PubChem CID171561786
Molecular FormulaC24H50O3Si2
Molecular Weight442.83 g/mol
Exact Mass442.33
IUPAC Nametriethyl-[(2S,3S)-2-[(2R,3R)-3-[(2R)-2-methyl-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane
SMILESC=C[C@@](C)(C[C@H]1O[C@@H]1[C@H](C)[C@H](CC)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C24H50O3Si2/c1-11-21(26-28(13-3,14-4)15-5)20(9)23-22(25-23)19-24(10,12-2)27-29(16-6,17-7)18-8/h12,20-23H,2,11,13-19H2,1,3-10H3/t20-,21+,22-,23-,24+/m1/s1
InChIKeyDGTPBMBOUDOFGE-HUUMMWPTSA-N
XLogP7.55
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.83
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(2S,3S)-2-[(2R,3R)-3-[(2R)-2-methyl-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane?
The IUPAC name of triethyl-[(2S,3S)-2-[(2R,3R)-3-[(2R)-2-methyl-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane (CID 171561786) is triethyl-[(2S,3S)-2-[(2R,3R)-3-[(2R)-2-methyl-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(2S,3S)-2-[(2R,3R)-3-[(2R)-2-methyl-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane?
The canonical SMILES for triethyl-[(2S,3S)-2-[(2R,3R)-3-[(2R)-2-methyl-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane is C=C[C@@](C)(C[C@H]1O[C@@H]1[C@H](C)[C@H](CC)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2S,3S)-2-[(2R,3R)-3-[(2R)-2-methyl-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane?
The InChIKey is DGTPBMBOUDOFGE-HUUMMWPTSA-N. The full InChI is InChI=1S/C24H50O3Si2/c1-11-21(26-28(13-3,14-4)15-5)20(9)23-22(25-23)19-24(10,12-2)27-29(16-6,17-7)18-8/h12,20-23H,2,11,13-19H2,1,3-10H3/t20-,21+,22-,23-,24+/m1/s1.
What are the key properties of triethyl-[(2S,3S)-2-[(2R,3R)-3-[(2R)-2-methyl-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane?
triethyl-[(2S,3S)-2-[(2R,3R)-3-[(2R)-2-methyl-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane has a molecular weight of 442.83 g/mol, XLogP of 7.55, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2S,3S)-2-[(2R,3R)-3-[(2R)-2-methyl-2-triethylsilyloxybut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane is sourced from PubChem (CID 171561786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).