tert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane

C12H22O2Si — CID 134857740

IUPACtert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane
SMILES[3H][C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C#C)O1
InChIInChI=1S/C12H22O2Si/c1-7-10-11(8-9-13-10)14-15(5,6)12(2,3)4/h1,10-11H,8-9H2,2-6H3/t10-,11+/m1/s1/i9T/t9-,10+,11-/m0
InChIKeyLPTYCTLUHIUCSE-GVCBLXQKSA-N
MW228.40 g/mol
LogP2.80
Rot. Bonds2

About tert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane (PubChem CID 134857740) has the molecular formula C12H22O2Si and a molecular weight of 228.40 g/mol. Its IUPAC name is tert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane
PubChem CID134857740
Molecular FormulaC12H22O2Si
Molecular Weight228.40 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane
SMILES[3H][C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C#C)O1
InChIInChI=1S/C12H22O2Si/c1-7-10-11(8-9-13-10)14-15(5,6)12(2,3)4/h1,10-11H,8-9H2,2-6H3/t10-,11+/m1/s1/i9T/t9-,10+,11-/m0
InChIKeyLPTYCTLUHIUCSE-GVCBLXQKSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-(oxolan-2-ylmethoxy)silane
CID 11746054
tert-butyl-[[(4S,5S)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11196521
tert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11587122
tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 56595070
tert-butyl-[[(2S)-3-ethynyloxiran-2-yl]methoxy]-dimethylsilane
CID 134841832
tert-butyl-[[(4R,5S)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 134856485
tert-butyl-[[(4S)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 134860679
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-[[(2S,3R)-3-but-3-ynyloxiran-2-yl]methoxy]-dimethylsilane
CID 155936769
tert-butyl-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
CID 10869844
Tert-butyl-(2-hex-5-ynoxyethoxy)-dimethylsilane
CID 23537922

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane (CID 134857740) is tert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane is [3H][C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C#C)O1.
What is the InChIKey of tert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane?
The InChIKey is LPTYCTLUHIUCSE-GVCBLXQKSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-7-10-11(8-9-13-10)14-15(5,6)12(2,3)4/h1,10-11H,8-9H2,2-6H3/t10-,11+/m1/s1/i9T/t9-,10+,11-/m0.
What are the key properties of tert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane has a molecular weight of 228.40 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S,5S)-2-ethynyl-5-tritiooxolan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 134857740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).