tert-butyl-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane

C16H32O2Si — CID 14213448

IUPACtert-butyl-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane
SMILESC#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(CCCC)OC
InChIInChI=1S/C16H32O2Si/c1-10-12-13-16(6,17-7)14(11-2)18-19(8,9)15(3,4)5/h2,14H,10,12-13H2,1,3-9H3/t14-,16-/m1/s1
InChIKeyJZKGPSHRLALXLQ-GDBMZVCRSA-N
MW284.52 g/mol
LogP4.61
Rot. Bonds7

About tert-butyl-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane

tert-butyl-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane (PubChem CID 14213448) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is tert-butyl-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane
PubChem CID14213448
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Nametert-butyl-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane
SMILESC#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(CCCC)OC
InChIInChI=1S/C16H32O2Si/c1-10-12-13-16(6,17-7)14(11-2)18-19(8,9)15(3,4)5/h2,14H,10,12-13H2,1,3-9H3/t14-,16-/m1/s1
InChIKeyJZKGPSHRLALXLQ-GDBMZVCRSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.61
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-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane (CID 14213448) is tert-butyl-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane is C#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(CCCC)OC.
What is the InChIKey of tert-butyl-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane?
The InChIKey is JZKGPSHRLALXLQ-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-10-12-13-16(6,17-7)14(11-2)18-19(8,9)15(3,4)5/h2,14H,10,12-13H2,1,3-9H3/t14-,16-/m1/s1.
What are the key properties of tert-butyl-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane has a molecular weight of 284.52 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4R)-4-methoxy-4-methyloct-1-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 14213448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).