tert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane

C23H42O5Si — CID 134839707

IUPACtert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane
SMILESC#C[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1[C@@H](OCOC)C(C)(C)C=C
InChIInChI=1S/C23H42O5Si/c1-14-21(6,7)18(25-16-24-11)17-19(27-22(8,9)26-17)23(10,15-2)28-29(12,13)20(3,4)5/h2,14,17-19H,1,16H2,3-13H3/t17-,18-,19-,23-/m1/s1
InChIKeyFAZOZXGREHOYGG-FZONSQQESA-N
MW426.67 g/mol
LogP5.12
Rot. Bonds9

About tert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane

tert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane (PubChem CID 134839707) has the molecular formula C23H42O5Si and a molecular weight of 426.67 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane
PubChem CID134839707
Molecular FormulaC23H42O5Si
Molecular Weight426.67 g/mol
Exact Mass426.28
IUPAC Nametert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane
SMILESC#C[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1[C@@H](OCOC)C(C)(C)C=C
InChIInChI=1S/C23H42O5Si/c1-14-21(6,7)18(25-16-24-11)17-19(27-22(8,9)26-17)23(10,15-2)28-29(12,13)20(3,4)5/h2,14,17-19H,1,16H2,3-13H3/t17-,18-,19-,23-/m1/s1
InChIKeyFAZOZXGREHOYGG-FZONSQQESA-N
XLogP5.12
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.67
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane (CID 134839707) is tert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane is C#C[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1[C@@H](OCOC)C(C)(C)C=C.
What is the InChIKey of tert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane?
The InChIKey is FAZOZXGREHOYGG-FZONSQQESA-N. The full InChI is InChI=1S/C23H42O5Si/c1-14-21(6,7)18(25-16-24-11)17-19(27-22(8,9)26-17)23(10,15-2)28-29(12,13)20(3,4)5/h2,14,17-19H,1,16H2,3-13H3/t17-,18-,19-,23-/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane has a molecular weight of 426.67 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-yn-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 134839707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).