tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane

C21H42O2Si2 — CID 10643656

IUPACtert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
SMILESC#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O2Si2/c1-14-16-19(23-25(12,13)21(7,8)9)17(3)18(15-2)22-24(10,11)20(4,5)6/h1,15,17-19H,2,16H2,3-13H3/t17-,18+,19+/m1/s1
InChIKeyISAIOCNIQWJIBA-QYZOEREBSA-N
MW382.74 g/mol
LogP6.61
Rot. Bonds8

About tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane

tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane (PubChem CID 10643656) has the molecular formula C21H42O2Si2 and a molecular weight of 382.74 g/mol. Its IUPAC name is tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
PubChem CID10643656
Molecular FormulaC21H42O2Si2
Molecular Weight382.74 g/mol
Exact Mass382.27
IUPAC Nametert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
SMILESC#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O2Si2/c1-14-16-19(23-25(12,13)21(7,8)9)17(3)18(15-2)22-24(10,11)20(4,5)6/h1,15,17-19H,2,16H2,3-13H3/t17-,18+,19+/m1/s1
InChIKeyISAIOCNIQWJIBA-QYZOEREBSA-N
XLogP6.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.74
LogP ≤ 56.61
H-Bond Donors ≤ 50
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-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane (CID 10643656) is tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane is C#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane?
The InChIKey is ISAIOCNIQWJIBA-QYZOEREBSA-N. The full InChI is InChI=1S/C21H42O2Si2/c1-14-16-19(23-25(12,13)21(7,8)9)17(3)18(15-2)22-24(10,11)20(4,5)6/h1,15,17-19H,2,16H2,3-13H3/t17-,18+,19+/m1/s1.
What are the key properties of tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane?
tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane has a molecular weight of 382.74 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 10643656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).