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

C15H28O3Si — CID 10869844

IUPACtert-butyl-[(1R)-1-[(4S)-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]1COC(C)(C)O1
InChIInChI=1S/C15H28O3Si/c1-9-10-12(13-11-16-15(5,6)17-13)18-19(7,8)14(2,3)4/h1,12-13H,10-11H2,2-8H3/t12-,13+/m1/s1
InChIKeyYKVJFZMXTZYRDH-OLZOCXBDSA-N
MW284.47 g/mol
LogP3.55
Rot. Bonds4

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

tert-butyl-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane (PubChem CID 10869844) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is tert-butyl-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
PubChem CID10869844
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nametert-butyl-[(1R)-1-[(4S)-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]1COC(C)(C)O1
InChIInChI=1S/C15H28O3Si/c1-9-10-12(13-11-16-15(5,6)17-13)18-19(7,8)14(2,3)4/h1,12-13H,10-11H2,2-8H3/t12-,13+/m1/s1
InChIKeyYKVJFZMXTZYRDH-OLZOCXBDSA-N
XLogP3.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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 tert-butyl-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane (CID 10869844) is tert-butyl-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-1-[(4S)-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]1COC(C)(C)O1.
What is the InChIKey of tert-butyl-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane?
The InChIKey is YKVJFZMXTZYRDH-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-9-10-12(13-11-16-15(5,6)17-13)18-19(7,8)14(2,3)4/h1,12-13H,10-11H2,2-8H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane?
tert-butyl-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane has a molecular weight of 284.47 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane is sourced from PubChem (CID 10869844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).