tert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane

C21H42O2Si2 — CID 134848526

IUPACtert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane
SMILESC#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C=C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O2Si2/c1-14-18(16-22-24(10,11)20(4,5)6)17(3)19(15-2)23-25(12,13)21(7,8)9/h2,14,17-19H,1,16H2,3-13H3/t17-,18-,19+/m0/s1
InChIKeyIROXGDTXJPDVLP-GBESFXJTSA-N
MW382.74 g/mol
LogP6.47
Rot. Bonds8

About tert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane

tert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane (PubChem CID 134848526) has the molecular formula C21H42O2Si2 and a molecular weight of 382.74 g/mol. Its IUPAC name is tert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane
PubChem CID134848526
Molecular FormulaC21H42O2Si2
Molecular Weight382.74 g/mol
Exact Mass382.27
IUPAC Nametert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane
SMILESC#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C=C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O2Si2/c1-14-18(16-22-24(10,11)20(4,5)6)17(3)19(15-2)23-25(12,13)21(7,8)9/h2,14,17-19H,1,16H2,3-13H3/t17-,18-,19+/m0/s1
InChIKeyIROXGDTXJPDVLP-GBESFXJTSA-N
XLogP6.47
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 ≤ 56.47
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,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
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol
CID 134848261
(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol
CID 134860975
tert-butyl-[(3S)-9,9-dimethyl-8-tri(propan-2-yl)silyloxydodec-11-en-1,6-diyn-3-yl]oxy-dimethylsilane
CID 134865047
tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane
CID 135042365
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
tert-butyl-[(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10833797
tert-butyl-[(1R,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethenylhex-5-ynoxy]-dimethylsilane
CID 10874920

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane (CID 134848526) is tert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane is C#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C=C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane?
The InChIKey is IROXGDTXJPDVLP-GBESFXJTSA-N. The full InChI is InChI=1S/C21H42O2Si2/c1-14-18(16-22-24(10,11)20(4,5)6)17(3)19(15-2)23-25(12,13)21(7,8)9/h2,14,17-19H,1,16H2,3-13H3/t17-,18-,19+/m0/s1.
What are the key properties of tert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane?
tert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane has a molecular weight of 382.74 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 134848526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).