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

C19H40O2Si2 — CID 11544935

IUPACtert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane
SMILESC#C[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O2Si2/c1-13-16(2)17(21-23(11,12)19(6,7)8)14-15-20-22(9,10)18(3,4)5/h1,16-17H,14-15H2,2-12H3/t16-,17+/m1/s1
InChIKeyNMPXSWIPDOHVGO-SJORKVTESA-N
MW356.70 g/mol
LogP6.06
Rot. Bonds7

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

tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane (PubChem CID 11544935) has the molecular formula C19H40O2Si2 and a molecular weight of 356.70 g/mol. Its IUPAC name is tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane
PubChem CID11544935
Molecular FormulaC19H40O2Si2
Molecular Weight356.70 g/mol
Exact Mass356.26
IUPAC Nametert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane
SMILESC#C[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O2Si2/c1-13-16(2)17(21-23(11,12)19(6,7)8)14-15-20-22(9,10)18(3,4)5/h1,16-17H,14-15H2,2-12H3/t16-,17+/m1/s1
InChIKeyNMPXSWIPDOHVGO-SJORKVTESA-N
XLogP6.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.70
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-4-triisobutylsilyloxyoct-5-yne
CID 531263
2-Methyl-4-tripropylsilyloxyoct-5-yne
CID 531307
2-Methyl-4-trihexylsilyloxyoct-5-yne
CID 531318
2-Methyl-4-tributylsilyloxyoct-5-yne
CID 531337
Silane, diethylisohexyloxy(4-methylpent-2-yloxy)-
CID 91698408
Silane, dimethyldi(2-methyloct-5-yn-4-yloxy)-
CID 91735882
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)pentyloxy-
CID 91736185
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)hexyloxy-
CID 91737718
Silane, diethylisohexyloxy(2-methylpent-3-yloxy)-
CID 91739185
triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane
CID 11384680
[(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane
CID 11402942
[(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane
CID 11420371

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane (CID 11544935) is tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane is C#C[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane?
The InChIKey is NMPXSWIPDOHVGO-SJORKVTESA-N. The full InChI is InChI=1S/C19H40O2Si2/c1-13-16(2)17(21-23(11,12)19(6,7)8)14-15-20-22(9,10)18(3,4)5/h1,16-17H,14-15H2,2-12H3/t16-,17+/m1/s1.
What are the key properties of tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane?
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane has a molecular weight of 356.70 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 11544935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).