tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane

C17H30O3Si — CID 10990553

IUPACtert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
SMILESC#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1C=C
InChIInChI=1S/C17H30O3Si/c1-10-12-14(20-21(8,9)16(3,4)5)15-13(11-2)18-17(6,7)19-15/h1,11,13-15H,2,12H2,3-9H3/t13-,14+,15-/m1/s1
InChIKeyXXZPJHQJNVTPAT-QLFBSQMISA-N
MW310.51 g/mol
LogP4.11
Rot. Bonds5

About tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane (PubChem CID 10990553) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
PubChem CID10990553
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Nametert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
SMILESC#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1C=C
InChIInChI=1S/C17H30O3Si/c1-10-12-14(20-21(8,9)16(3,4)5)15-13(11-2)18-17(6,7)19-15/h1,11,13-15H,2,12H2,3-9H3/t13-,14+,15-/m1/s1
InChIKeyXXZPJHQJNVTPAT-QLFBSQMISA-N
XLogP4.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane (CID 10990553) is tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane is C#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1C=C.
What is the InChIKey of tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane?
The InChIKey is XXZPJHQJNVTPAT-QLFBSQMISA-N. The full InChI is InChI=1S/C17H30O3Si/c1-10-12-14(20-21(8,9)16(3,4)5)15-13(11-2)18-17(6,7)19-15/h1,11,13-15H,2,12H2,3-9H3/t13-,14+,15-/m1/s1.
What are the key properties of tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane has a molecular weight of 310.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane is sourced from PubChem (CID 10990553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).