tert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane

C21H42O2Si2 — CID 88965288

IUPACtert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C=C)CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C21H42O2Si2/c1-13-15-19(23-25(11,12)20(4,5)6)17(3)18(14-2)16-21(7,8)24(9,10)22/h1,14,17-19,22H,2,15-16H2,3-12H3/t17-,18+,19-/m1/s1
InChIKeyLIYOAGGYMLYPRV-CEXWTWQISA-N
MW382.74 g/mol
LogP6.21
Rot. Bonds9

About tert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane

tert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane (PubChem CID 88965288) has the molecular formula C21H42O2Si2 and a molecular weight of 382.74 g/mol. Its IUPAC name is tert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane
PubChem CID88965288
Molecular FormulaC21H42O2Si2
Molecular Weight382.74 g/mol
Exact Mass382.27
IUPAC Nametert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C=C)CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C21H42O2Si2/c1-13-15-19(23-25(11,12)20(4,5)6)17(3)18(14-2)16-21(7,8)24(9,10)22/h1,14,17-19,22H,2,15-16H2,3-12H3/t17-,18+,19-/m1/s1
InChIKeyLIYOAGGYMLYPRV-CEXWTWQISA-N
XLogP6.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.74
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 tert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane (CID 88965288) is tert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C=C)CC(C)(C)[Si](C)(C)O.
What is the InChIKey of tert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane?
The InChIKey is LIYOAGGYMLYPRV-CEXWTWQISA-N. The full InChI is InChI=1S/C21H42O2Si2/c1-13-15-19(23-25(11,12)20(4,5)6)17(3)18(14-2)16-21(7,8)24(9,10)22/h1,14,17-19,22H,2,15-16H2,3-12H3/t17-,18+,19-/m1/s1.
What are the key properties of tert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane?
tert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane has a molecular weight of 382.74 g/mol, XLogP of 6.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4R,5R,6R)-6-ethenyl-8-[hydroxy(dimethyl)silyl]-5,8-dimethylnon-1-yn-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 88965288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).