tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane

C25H50O5Si2 — CID 56600292

IUPACtert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
SMILESC=CCOC/C=C\[C@@H]1OC(C)(C)O[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H50O5Si2/c1-14-17-26-18-15-16-20-22(29-25(8,9)28-20)21(30-32(12,13)24(5,6)7)19-27-31(10,11)23(2,3)4/h14-16,20-22H,1,17-19H2,2-13H3/b16-15-/t20-,21+,22-/m0/s1
InChIKeyLFCGXFMXCSFAIF-YVTKHUKNSA-N
MW486.84 g/mol
LogP6.68
Rot. Bonds11

About tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane

tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane (PubChem CID 56600292) has the molecular formula C25H50O5Si2 and a molecular weight of 486.84 g/mol. Its IUPAC name is tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
PubChem CID56600292
Molecular FormulaC25H50O5Si2
Molecular Weight486.84 g/mol
Exact Mass486.32
IUPAC Nametert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
SMILESC=CCOC/C=C\[C@@H]1OC(C)(C)O[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H50O5Si2/c1-14-17-26-18-15-16-20-22(29-25(8,9)28-20)21(30-32(12,13)24(5,6)7)19-27-31(10,11)23(2,3)4/h14-16,20-22H,1,17-19H2,2-13H3/b16-15-/t20-,21+,22-/m0/s1
InChIKeyLFCGXFMXCSFAIF-YVTKHUKNSA-N
XLogP6.68
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.84
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane (CID 56600292) is tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane is C=CCOC/C=C\[C@@H]1OC(C)(C)O[C@@H]1[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-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane?
The InChIKey is LFCGXFMXCSFAIF-YVTKHUKNSA-N. The full InChI is InChI=1S/C25H50O5Si2/c1-14-17-26-18-15-16-20-22(29-25(8,9)28-20)21(30-32(12,13)24(5,6)7)19-27-31(10,11)23(2,3)4/h14-16,20-22H,1,17-19H2,2-13H3/b16-15-/t20-,21+,22-/m0/s1.
What are the key properties of tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane?
tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane has a molecular weight of 486.84 g/mol, XLogP of 6.68, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-prop-2-enoxyprop-1-enyl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 56600292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).