[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-triethylsilane

C15H28O3Si — CID 10995698

IUPAC[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-triethylsilane
SMILESCC#C[C@H](O[Si](CC)(CC)CC)[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H28O3Si/c1-7-11-13(14-12-16-15(5,6)17-14)18-19(8-2,9-3)10-4/h13-14H,8-10,12H2,1-6H3/t13-,14+/m0/s1
InChIKeyZPIUKKKMFBAUKK-UONOGXRCSA-N
MW284.47 g/mol
LogP3.55
Rot. Bonds6

About [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-triethylsilane

[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-triethylsilane (PubChem CID 10995698) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-triethylsilane.

Molecular Properties

Compound Name[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-triethylsilane
PubChem CID10995698
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-triethylsilane
SMILESCC#C[C@H](O[Si](CC)(CC)CC)[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H28O3Si/c1-7-11-13(14-12-16-15(5,6)17-14)18-19(8-2,9-3)10-4/h13-14H,8-10,12H2,1-6H3/t13-,14+/m0/s1
InChIKeyZPIUKKKMFBAUKK-UONOGXRCSA-N
XLogP3.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.55
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 [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-triethylsilane?
The IUPAC name of [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-triethylsilane (CID 10995698) is [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-triethylsilane.
What is the SMILES notation for [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-triethylsilane?
The canonical SMILES for [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-triethylsilane is CC#C[C@H](O[Si](CC)(CC)CC)[C@H]1COC(C)(C)O1.
What is the InChIKey of [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-triethylsilane?
The InChIKey is ZPIUKKKMFBAUKK-UONOGXRCSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-7-11-13(14-12-16-15(5,6)17-14)18-19(8-2,9-3)10-4/h13-14H,8-10,12H2,1-6H3/t13-,14+/m0/s1.
What are the key properties of [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-triethylsilane?
[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-triethylsilane has a molecular weight of 284.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-triethylsilane is sourced from PubChem (CID 10995698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).