tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane

C22H44O2Si2 — CID 10927403

IUPACtert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O2Si2/c1-15-17-19(24-26(13,14)21(6,7)8)22(9,10)18(16-2)23-25(11,12)20(3,4)5/h1,16,18-19H,2,17H2,3-14H3/t18-,19-/m1/s1
InChIKeyGXMFZDGJTRUQKA-RTBURBONSA-N
MW396.76 g/mol
LogP7.00
Rot. Bonds8

About tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane

tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane (PubChem CID 10927403) has the molecular formula C22H44O2Si2 and a molecular weight of 396.76 g/mol. Its IUPAC name is tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
PubChem CID10927403
Molecular FormulaC22H44O2Si2
Molecular Weight396.76 g/mol
Exact Mass396.29
IUPAC Nametert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O2Si2/c1-15-17-19(24-26(13,14)21(6,7)8)22(9,10)18(16-2)23-25(11,12)20(3,4)5/h1,16,18-19H,2,17H2,3-14H3/t18-,19-/m1/s1
InChIKeyGXMFZDGJTRUQKA-RTBURBONSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.76
LogP ≤ 57.00
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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Related Compounds

tert-butyl-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane
CID 9885624
tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10643656
tert-butyl-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10667634
Tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane
CID 15422449
tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 53392206
tert-butyl-[(3S)-9,9-dimethyl-8-tri(propan-2-yl)silyloxydodec-11-en-1,6-diyn-3-yl]oxy-dimethylsilane
CID 134865047
Tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-enoxy]silane
CID 164665054
tert-butyl-[(1S,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10523997
tert-butyl-[(1S,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10762489
tert-butyl-[(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10762490
tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10762491

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane (CID 10927403) is tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane?
The InChIKey is GXMFZDGJTRUQKA-RTBURBONSA-N. The full InChI is InChI=1S/C22H44O2Si2/c1-15-17-19(24-26(13,14)21(6,7)8)22(9,10)18(16-2)23-25(11,12)20(3,4)5/h1,16,18-19H,2,17H2,3-14H3/t18-,19-/m1/s1.
What are the key properties of tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane?
tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane has a molecular weight of 396.76 g/mol, XLogP of 7.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 10927403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).