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

C18H38O2Si2 — CID 24749921

IUPACtert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-ynoxy]-dimethylsilane
SMILESC#C[C@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-13-15(2)16(20-22(11,12)18(6,7)8)14-19-21(9,10)17(3,4)5/h1,15-16H,14H2,2-12H3/t15-,16-/m0/s1
InChIKeyLJHRPDCNDPGYQG-HOTGVXAUSA-N
MW342.67 g/mol
LogP5.67
Rot. Bonds6

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

tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-ynoxy]-dimethylsilane (PubChem CID 24749921) has the molecular formula C18H38O2Si2 and a molecular weight of 342.67 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-ynoxy]-dimethylsilane
PubChem CID24749921
Molecular FormulaC18H38O2Si2
Molecular Weight342.67 g/mol
Exact Mass342.24
IUPAC Nametert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-ynoxy]-dimethylsilane
SMILESC#C[C@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-13-15(2)16(20-22(11,12)18(6,7)8)14-19-21(9,10)17(3,4)5/h1,15-16H,14H2,2-12H3/t15-,16-/m0/s1
InChIKeyLJHRPDCNDPGYQG-HOTGVXAUSA-N
XLogP5.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.67
LogP ≤ 55.67
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-Triisobutylsilyloxybut-3-yne
CID 531258
tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane
CID 11014028
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane
CID 11544935
tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
CID 11602878
tert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane
CID 15606136
CID 134969845
CID 134969845
Tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane
CID 134977101
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylpent-4-ynoxy]-dimethylsilane
CID 154707127
tert-butyl-[(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-yn-3-yl]oxy-dimethylsilane
CID 155931948
[(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-ynyl]-trimethylsilane
CID 11315575
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane
CID 58139621
tert-butyl-[(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-4-ynoxy]-dimethylsilane
CID 58373556

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-ynoxy]-dimethylsilane (CID 24749921) is tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-ynoxy]-dimethylsilane is C#C[C@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-ynoxy]-dimethylsilane?
The InChIKey is LJHRPDCNDPGYQG-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-13-15(2)16(20-22(11,12)18(6,7)8)14-19-21(9,10)17(3,4)5/h1,15-16H,14H2,2-12H3/t15-,16-/m0/s1.
What are the key properties of tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-ynoxy]-dimethylsilane?
tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-ynoxy]-dimethylsilane has a molecular weight of 342.67 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-ynoxy]-dimethylsilane is sourced from PubChem (CID 24749921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).