2-[3,3-di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane

C13H24OSi — CID 134992974

IUPAC2-[3,3-di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane
SMILESCC(C)C1(C(C)C)OC1C#C[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-10(2)13(11(3)4)12(14-13)8-9-15(5,6)7/h10-12H,1-7H3
InChIKeyYIJCXDMWBKXJGU-UHFFFAOYSA-N
MW224.42 g/mol
LogP3.32
Rot. Bonds2

About 2-[3,3-di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane

2-[3,3-di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane (PubChem CID 134992974) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is 2-[3,3-di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[3,3-di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane
PubChem CID134992974
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name2-[3,3-di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane
SMILESCC(C)C1(C(C)C)OC1C#C[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-10(2)13(11(3)4)12(14-13)8-9-15(5,6)7/h10-12H,1-7H3
InChIKeyYIJCXDMWBKXJGU-UHFFFAOYSA-N
XLogP3.32
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.32
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-[3,3-di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[3,3-di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane (CID 134992974) is 2-[3,3-di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[3,3-di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[3,3-di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane is CC(C)C1(C(C)C)OC1C#C[Si](C)(C)C.
What is the InChIKey of 2-[3,3-di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane?
The InChIKey is YIJCXDMWBKXJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-10(2)13(11(3)4)12(14-13)8-9-15(5,6)7/h10-12H,1-7H3.
What are the key properties of 2-[3,3-di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane?
2-[3,3-di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-di(propan-2-yl)oxiran-2-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 134992974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).