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

C10H16OSi — CID 11126871

IUPAC2-[(2R,3R)-3-ethenyl-3-methyloxiran-2-yl]ethynyl-trimethylsilane
SMILESC=C[C@@]1(C)O[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C10H16OSi/c1-6-10(2)9(11-10)7-8-12(3,4)5/h6,9H,1H2,2-5H3/t9-,10-/m1/s1
InChIKeyZQRZKNABPAYYOQ-NXEZZACHSA-N
MW180.32 g/mol
LogP2.21
Rot. Bonds1

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

2-[(2R,3R)-3-ethenyl-3-methyloxiran-2-yl]ethynyl-trimethylsilane (PubChem CID 11126871) has the molecular formula C10H16OSi and a molecular weight of 180.32 g/mol. Its IUPAC name is 2-[(2R,3R)-3-ethenyl-3-methyloxiran-2-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2R,3R)-3-ethenyl-3-methyloxiran-2-yl]ethynyl-trimethylsilane
PubChem CID11126871
Molecular FormulaC10H16OSi
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name2-[(2R,3R)-3-ethenyl-3-methyloxiran-2-yl]ethynyl-trimethylsilane
SMILESC=C[C@@]1(C)O[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C10H16OSi/c1-6-10(2)9(11-10)7-8-12(3,4)5/h6,9H,1H2,2-5H3/t9-,10-/m1/s1
InChIKeyZQRZKNABPAYYOQ-NXEZZACHSA-N
XLogP2.21
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(2R,3R)-3-ethenyl-3-methyloxiran-2-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(2R,3R)-3-ethenyl-3-methyloxiran-2-yl]ethynyl-trimethylsilane (CID 11126871) is 2-[(2R,3R)-3-ethenyl-3-methyloxiran-2-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(2R,3R)-3-ethenyl-3-methyloxiran-2-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(2R,3R)-3-ethenyl-3-methyloxiran-2-yl]ethynyl-trimethylsilane is C=C[C@@]1(C)O[C@@H]1C#C[Si](C)(C)C.
What is the InChIKey of 2-[(2R,3R)-3-ethenyl-3-methyloxiran-2-yl]ethynyl-trimethylsilane?
The InChIKey is ZQRZKNABPAYYOQ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16OSi/c1-6-10(2)9(11-10)7-8-12(3,4)5/h6,9H,1H2,2-5H3/t9-,10-/m1/s1.
What are the key properties of 2-[(2R,3R)-3-ethenyl-3-methyloxiran-2-yl]ethynyl-trimethylsilane?
2-[(2R,3R)-3-ethenyl-3-methyloxiran-2-yl]ethynyl-trimethylsilane has a molecular weight of 180.32 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-ethenyl-3-methyloxiran-2-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 11126871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).