trimethyl-[(2S,3S,4R,5S)-3-trimethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-(2-trimethylsilyloxyprop-2-enyl)oxan-4-yl]oxysilane

C27H58O6Si4 — CID 10579312

IUPACtrimethyl-[(2S,3S,4R,5S)-3-trimethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-(2-trimethylsilyloxyprop-2-enyl)oxan-4-yl]oxysilane
SMILESC=C(C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C27H58O6Si4/c1-19(30-34(4,5)6)16-23-27(33-37(13,14)15)26(32-36(10,11)12)22(18-28-23)17-24-25(29-24)20(2)21(3)31-35(7,8)9/h20-27H,1,16-18H2,2-15H3/t20-,21-,22-,23-,24-,25-,26+,27-/m0/s1
InChIKeyFTLCZKZMXBSDAA-MCLYPBNASA-N
MW591.10 g/mol
LogP7.23
Rot. Bonds14

About trimethyl-[(2S,3S,4R,5S)-3-trimethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-(2-trimethylsilyloxyprop-2-enyl)oxan-4-yl]oxysilane

trimethyl-[(2S,3S,4R,5S)-3-trimethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-(2-trimethylsilyloxyprop-2-enyl)oxan-4-yl]oxysilane (PubChem CID 10579312) has the molecular formula C27H58O6Si4 and a molecular weight of 591.10 g/mol. Its IUPAC name is trimethyl-[(2S,3S,4R,5S)-3-trimethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-(2-trimethylsilyloxyprop-2-enyl)oxan-4-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(2S,3S,4R,5S)-3-trimethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-(2-trimethylsilyloxyprop-2-enyl)oxan-4-yl]oxysilane
PubChem CID10579312
Molecular FormulaC27H58O6Si4
Molecular Weight591.10 g/mol
Exact Mass590.33
IUPAC Nametrimethyl-[(2S,3S,4R,5S)-3-trimethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-(2-trimethylsilyloxyprop-2-enyl)oxan-4-yl]oxysilane
SMILESC=C(C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C27H58O6Si4/c1-19(30-34(4,5)6)16-23-27(33-37(13,14)15)26(32-36(10,11)12)22(18-28-23)17-24-25(29-24)20(2)21(3)31-35(7,8)9/h20-27H,1,16-18H2,2-15H3/t20-,21-,22-,23-,24-,25-,26+,27-/m0/s1
InChIKeyFTLCZKZMXBSDAA-MCLYPBNASA-N
XLogP7.23
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.10
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 trimethyl-[(2S,3S,4R,5S)-3-trimethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-(2-trimethylsilyloxyprop-2-enyl)oxan-4-yl]oxysilane?
The IUPAC name of trimethyl-[(2S,3S,4R,5S)-3-trimethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-(2-trimethylsilyloxyprop-2-enyl)oxan-4-yl]oxysilane (CID 10579312) is trimethyl-[(2S,3S,4R,5S)-3-trimethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-(2-trimethylsilyloxyprop-2-enyl)oxan-4-yl]oxysilane.
What is the SMILES notation for trimethyl-[(2S,3S,4R,5S)-3-trimethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-(2-trimethylsilyloxyprop-2-enyl)oxan-4-yl]oxysilane?
The canonical SMILES for trimethyl-[(2S,3S,4R,5S)-3-trimethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-(2-trimethylsilyloxyprop-2-enyl)oxan-4-yl]oxysilane is C=C(C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(2S,3S,4R,5S)-3-trimethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-(2-trimethylsilyloxyprop-2-enyl)oxan-4-yl]oxysilane?
The InChIKey is FTLCZKZMXBSDAA-MCLYPBNASA-N. The full InChI is InChI=1S/C27H58O6Si4/c1-19(30-34(4,5)6)16-23-27(33-37(13,14)15)26(32-36(10,11)12)22(18-28-23)17-24-25(29-24)20(2)21(3)31-35(7,8)9/h20-27H,1,16-18H2,2-15H3/t20-,21-,22-,23-,24-,25-,26+,27-/m0/s1.
What are the key properties of trimethyl-[(2S,3S,4R,5S)-3-trimethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-(2-trimethylsilyloxyprop-2-enyl)oxan-4-yl]oxysilane?
trimethyl-[(2S,3S,4R,5S)-3-trimethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-(2-trimethylsilyloxyprop-2-enyl)oxan-4-yl]oxysilane has a molecular weight of 591.10 g/mol, XLogP of 7.23, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2S,3S,4R,5S)-3-trimethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-(2-trimethylsilyloxyprop-2-enyl)oxan-4-yl]oxysilane is sourced from PubChem (CID 10579312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).