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

C13H22OSi — CID 10867900

IUPAC2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#C[C@@H]1O[C@@H]1C1CCCCC1
InChIInChI=1S/C13H22OSi/c1-15(2,3)10-9-12-13(14-12)11-7-5-4-6-8-11/h11-13H,4-8H2,1-3H3/t12-,13+/m0/s1
InChIKeyZOIDITARUBXFRP-QWHCGFSZSA-N
MW222.40 g/mol
LogP3.21
Rot. Bonds1

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

2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane (PubChem CID 10867900) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is 2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane
PubChem CID10867900
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#C[C@@H]1O[C@@H]1C1CCCCC1
InChIInChI=1S/C13H22OSi/c1-15(2,3)10-9-12-13(14-12)11-7-5-4-6-8-11/h11-13H,4-8H2,1-3H3/t12-,13+/m0/s1
InChIKeyZOIDITARUBXFRP-QWHCGFSZSA-N
XLogP3.21
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane (CID 10867900) is 2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane is C[Si](C)(C)C#C[C@@H]1O[C@@H]1C1CCCCC1.
What is the InChIKey of 2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane?
The InChIKey is ZOIDITARUBXFRP-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H22OSi/c1-15(2,3)10-9-12-13(14-12)11-7-5-4-6-8-11/h11-13H,4-8H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of 2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane?
2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane has a molecular weight of 222.40 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 10867900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).