tert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane

C23H42O3Si2 — CID 11293134

IUPACtert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane
SMILESC#C[C@@](CC#C[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C23H42O3Si2/c1-14-23(19-18-24-22(8,9)25-19,26-28(12,13)21(5,6)7)16-15-17-27(10,11)20(2,3)4/h1,19H,16,18H2,2-13H3/t19-,23+/m1/s1
InChIKeyLGXLACVNNMOEEQ-XXBNENTESA-N
MW422.76 g/mol
LogP5.97
Rot. Bonds4

About tert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane

tert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane (PubChem CID 11293134) has the molecular formula C23H42O3Si2 and a molecular weight of 422.76 g/mol. Its IUPAC name is tert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane
PubChem CID11293134
Molecular FormulaC23H42O3Si2
Molecular Weight422.76 g/mol
Exact Mass422.27
IUPAC Nametert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane
SMILESC#C[C@@](CC#C[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C23H42O3Si2/c1-14-23(19-18-24-22(8,9)25-19,26-28(12,13)21(5,6)7)16-15-17-27(10,11)20(2,3)4/h1,19H,16,18H2,2-13H3/t19-,23+/m1/s1
InChIKeyLGXLACVNNMOEEQ-XXBNENTESA-N
XLogP5.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.76
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane (CID 11293134) is tert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane is C#C[C@@](CC#C[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane?
The InChIKey is LGXLACVNNMOEEQ-XXBNENTESA-N. The full InChI is InChI=1S/C23H42O3Si2/c1-14-23(19-18-24-22(8,9)25-19,26-28(12,13)21(5,6)7)16-15-17-27(10,11)20(2,3)4/h1,19H,16,18H2,2-13H3/t19-,23+/m1/s1.
What are the key properties of tert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane has a molecular weight of 422.76 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11293134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).