tert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane

C25H52O4Si2 — CID 71745224

IUPACtert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H]1OC(C)(C)O[C@]1(C)CC[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O4Si2/c1-15-21-25(10,29-24(8,9)27-21)18-16-20(28-31(13,14)23(5,6)7)17-19-26-30(11,12)22(2,3)4/h15,20-21H,1,16-19H2,2-14H3/t20-,21+,25-/m1/s1
InChIKeyWOMRBJNJOOCWPH-TYBLODHISA-N
MW472.86 g/mol
LogP7.67
Rot. Bonds10

About tert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane

tert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane (PubChem CID 71745224) has the molecular formula C25H52O4Si2 and a molecular weight of 472.86 g/mol. Its IUPAC name is tert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane
PubChem CID71745224
Molecular FormulaC25H52O4Si2
Molecular Weight472.86 g/mol
Exact Mass472.34
IUPAC Nametert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H]1OC(C)(C)O[C@]1(C)CC[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O4Si2/c1-15-21-25(10,29-24(8,9)27-21)18-16-20(28-31(13,14)23(5,6)7)17-19-26-30(11,12)22(2,3)4/h15,20-21H,1,16-19H2,2-14H3/t20-,21+,25-/m1/s1
InChIKeyWOMRBJNJOOCWPH-TYBLODHISA-N
XLogP7.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.86
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane (CID 71745224) is tert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane is C=C[C@@H]1OC(C)(C)O[C@]1(C)CC[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane?
The InChIKey is WOMRBJNJOOCWPH-TYBLODHISA-N. The full InChI is InChI=1S/C25H52O4Si2/c1-15-21-25(10,29-24(8,9)27-21)18-16-20(28-31(13,14)23(5,6)7)17-19-26-30(11,12)22(2,3)4/h15,20-21H,1,16-19H2,2-14H3/t20-,21+,25-/m1/s1.
What are the key properties of tert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane has a molecular weight of 472.86 g/mol, XLogP of 7.67, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 71745224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).