tert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane

C13H24O2Si — CID 155936769

IUPACtert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane
SMILESC#CCC[C@H]1O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-7-8-9-11-12(15-11)10-14-16(5,6)13(2,3)4/h1,11-12H,8-10H2,2-6H3/t11-,12+/m1/s1
InChIKeyYUDTYPNUGIKESZ-NEPJUHHUSA-N
MW240.42 g/mol
LogP3.19
Rot. Bonds5

About tert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane (PubChem CID 155936769) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is tert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane
PubChem CID155936769
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Nametert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane
SMILESC#CCC[C@H]1O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-7-8-9-11-12(15-11)10-14-16(5,6)13(2,3)4/h1,11-12H,8-10H2,2-6H3/t11-,12+/m1/s1
InChIKeyYUDTYPNUGIKESZ-NEPJUHHUSA-N
XLogP3.19
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[[(2R,3R)-3-propyloxiran-2-yl]methoxy]silane
CID 11085601
tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-ynoxyethoxy]silane
CID 10848704
tert-butyl-[[(2S)-3-ethynyloxiran-2-yl]methoxy]-dimethylsilane
CID 134841832
tert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane
CID 134857740
tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane
CID 134859795
tert-butyl-[[(2S,3R)-3-ethynyloxiran-2-yl]methoxy]-dimethylsilane
CID 134860685
tert-butyl-[[(2S,3S)-3-ethynyloxiran-2-yl]methoxy]-dimethylsilane
CID 134860715
tert-butyl-dimethyl-[[(2R)-3-propyloxiran-2-yl]methoxy]silane
CID 135054443
tert-butyl-[[(2S,3S)-3-[(2S)-but-3-yn-2-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 138969957
tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane
CID 10514596
Tert-butyl-dimethyl-[(3-propyloxiran-2-yl)methoxy]silane
CID 23443486
Tert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane
CID 23443487

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane (CID 155936769) is tert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane is C#CCC[C@H]1O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane?
The InChIKey is YUDTYPNUGIKESZ-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-7-8-9-11-12(15-11)10-14-16(5,6)13(2,3)4/h1,11-12H,8-10H2,2-6H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane has a molecular weight of 240.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 155936769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).