tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane

C19H40O2Si2 — CID 11602878

IUPACtert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
SMILESC#C[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C19H40O2Si2/c1-11-17(5)18(21-23(12-2,13-3)14-4)15-16-20-22(9,10)19(6,7)8/h1,17-18H,12-16H2,2-10H3/t17-,18+/m0/s1
InChIKeyIXBWOWIFZZYLCA-ZWKOTPCHSA-N
MW356.70 g/mol
LogP6.06
Rot. Bonds10

About tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane

tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane (PubChem CID 11602878) has the molecular formula C19H40O2Si2 and a molecular weight of 356.70 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
PubChem CID11602878
Molecular FormulaC19H40O2Si2
Molecular Weight356.70 g/mol
Exact Mass356.26
IUPAC Nametert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
SMILESC#C[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C19H40O2Si2/c1-11-17(5)18(21-23(12-2,13-3)14-4)15-16-20-22(9,10)19(6,7)8/h1,17-18H,12-16H2,2-10H3/t17-,18+/m0/s1
InChIKeyIXBWOWIFZZYLCA-ZWKOTPCHSA-N
XLogP6.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
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

tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane
CID 11773114
tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane
CID 56850000
tert-butyl-dimethyl-(2-triethylsilyloxyethoxy)silane
CID 16742633
triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane
CID 11013916
(3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile
CID 101210753
tert-butyl-dimethyl-[(3R)-3-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
CID 10570287
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
tert-butyl-(2-methoxybut-3-ynoxy)-dimethylsilane
CID 131742760
tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane
CID 155932039
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
tert-butyl-dimethyl-(2-methylbut-3-ynoxy)silane
CID 10584128
triethyl(4-triethylsilyloxybutan-2-yloxy)silane
CID 13223544

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane (CID 11602878) is tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane is C#C[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane?
The InChIKey is IXBWOWIFZZYLCA-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H40O2Si2/c1-11-17(5)18(21-23(12-2,13-3)14-4)15-16-20-22(9,10)19(6,7)8/h1,17-18H,12-16H2,2-10H3/t17-,18+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane?
tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane has a molecular weight of 356.70 g/mol, XLogP of 6.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane is sourced from PubChem (CID 11602878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).