[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-ynyl] 2,2-dimethylpropanoate

C26H50O4Si2 — CID 11081378

IUPAC[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-ynyl] 2,2-dimethylpropanoate
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H50O4Si2/c1-16-18-22(30-32(14,15)26(9,10)11)20(19-28-23(27)24(3,4)5)21(17-2)29-31(12,13)25(6,7)8/h1,17,20-22H,2,18-19H2,3-15H3/t20-,21-,22-/m1/s1
InChIKeyLGQKVUVITIHUEJ-YPAWHYETSA-N
MW482.85 g/mol
LogP7.18
Rot. Bonds10

About [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-ynyl] 2,2-dimethylpropanoate

[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-ynyl] 2,2-dimethylpropanoate (PubChem CID 11081378) has the molecular formula C26H50O4Si2 and a molecular weight of 482.85 g/mol. Its IUPAC name is [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-ynyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-ynyl] 2,2-dimethylpropanoate
PubChem CID11081378
Molecular FormulaC26H50O4Si2
Molecular Weight482.85 g/mol
Exact Mass482.32
IUPAC Name[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-ynyl] 2,2-dimethylpropanoate
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H50O4Si2/c1-16-18-22(30-32(14,15)26(9,10)11)20(19-28-23(27)24(3,4)5)21(17-2)29-31(12,13)25(6,7)8/h1,17,20-22H,2,18-19H2,3-15H3/t20-,21-,22-/m1/s1
InChIKeyLGQKVUVITIHUEJ-YPAWHYETSA-N
XLogP7.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.85
LogP ≤ 57.18
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-ynyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-ynyl] 2,2-dimethylpropanoate (CID 11081378) is [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-ynyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-ynyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-ynyl] 2,2-dimethylpropanoate is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-ynyl] 2,2-dimethylpropanoate?
The InChIKey is LGQKVUVITIHUEJ-YPAWHYETSA-N. The full InChI is InChI=1S/C26H50O4Si2/c1-16-18-22(30-32(14,15)26(9,10)11)20(19-28-23(27)24(3,4)5)21(17-2)29-31(12,13)25(6,7)8/h1,17,20-22H,2,18-19H2,3-15H3/t20-,21-,22-/m1/s1.
What are the key properties of [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-ynyl] 2,2-dimethylpropanoate?
[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-ynyl] 2,2-dimethylpropanoate has a molecular weight of 482.85 g/mol, XLogP of 7.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hex-5-ynyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11081378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).