2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane

C11H20OSi — CID 15649762

IUPAC2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane
SMILESCCCC[C@H]1O[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-5-6-7-10-11(12-10)8-9-13(2,3)4/h10-11H,5-7H2,1-4H3/t10-,11-/m1/s1
InChIKeyUZYNOXXLZWEHOJ-GHMZBOCLSA-N
MW196.37 g/mol
LogP2.82
Rot. Bonds3

About 2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane

2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane (PubChem CID 15649762) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane
PubChem CID15649762
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane
SMILESCCCC[C@H]1O[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-5-6-7-10-11(12-10)8-9-13(2,3)4/h10-11H,5-7H2,1-4H3/t10-,11-/m1/s1
InChIKeyUZYNOXXLZWEHOJ-GHMZBOCLSA-N
XLogP2.82
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3-Glycidylpropyl trimethylsilane
CID 88186993
trimethyl-[(2R,3R)-3-pentyloxiran-2-yl]silane
CID 10012678
trimethyl-[2-[(2R,5S)-5-pentyloxolan-2-yl]ethynyl]silane
CID 10490147
trimethyl-[2-[(2R,6S)-6-pentyloxan-2-yl]ethynyl]silane
CID 10586947
Trimethyl-(3-pentyl-2-propyloxiran-2-yl)silane
CID 12524690
Trimethyl-(2-pentyl-3-propyloxiran-2-yl)silane
CID 12524693
(3-Butyloxiran-2-yl)-trimethylsilane
CID 13244705
(2,3-Dipropyloxiran-2-yl)-trimethylsilane
CID 14271476
trimethyl-[2-[(2R,3R)-3-propyloxiran-2-yl]ethynyl]silane
CID 15863615
3-Methoxynon-1-ynyl(trimethyl)silane
CID 44603876
triethyl-[(2R,3R)-3-pentyloxiran-2-yl]silane
CID 134881208
trimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane
CID 134889678

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane (CID 15649762) is 2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane is CCCC[C@H]1O[C@@H]1C#C[Si](C)(C)C.
What is the InChIKey of 2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane?
The InChIKey is UZYNOXXLZWEHOJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20OSi/c1-5-6-7-10-11(12-10)8-9-13(2,3)4/h10-11H,5-7H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of 2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane?
2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane has a molecular weight of 196.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-butyloxiran-2-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 15649762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).