tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane

C21H44O2Si2 — CID 56929866

IUPACtert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane
SMILESCC#C[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O2Si2/c1-14-15-17(2)19(23-25(12,13)21(7,8)9)16-18(3)22-24(10,11)20(4,5)6/h17-19H,16H2,1-13H3/t17-,18-,19-/m1/s1
InChIKeyIDXBQOILCKSZTL-GUDVDZBRSA-N
MW384.75 g/mol
LogP6.84
Rot. Bonds7

About tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane

tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane (PubChem CID 56929866) has the molecular formula C21H44O2Si2 and a molecular weight of 384.75 g/mol. Its IUPAC name is tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane
PubChem CID56929866
Molecular FormulaC21H44O2Si2
Molecular Weight384.75 g/mol
Exact Mass384.29
IUPAC Nametert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane
SMILESCC#C[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O2Si2/c1-14-15-17(2)19(23-25(12,13)21(7,8)9)16-18(3)22-24(10,11)20(4,5)6/h17-19H,16H2,1-13H3/t17-,18-,19-/m1/s1
InChIKeyIDXBQOILCKSZTL-GUDVDZBRSA-N
XLogP6.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.75
LogP ≤ 56.84
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane (CID 56929866) is tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane is CC#C[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane?
The InChIKey is IDXBQOILCKSZTL-GUDVDZBRSA-N. The full InChI is InChI=1S/C21H44O2Si2/c1-14-15-17(2)19(23-25(12,13)21(7,8)9)16-18(3)22-24(10,11)20(4,5)6/h17-19H,16H2,1-13H3/t17-,18-,19-/m1/s1.
What are the key properties of tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane has a molecular weight of 384.75 g/mol, XLogP of 6.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 56929866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).