tert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane

C13H24OSi — CID 101267815

IUPACtert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane
SMILESC=CC[C@@]1([Si](C)(C)C(C)(C)C)O[C@@H]1C=C
InChIInChI=1S/C13H24OSi/c1-8-10-13(11(9-2)14-13)15(6,7)12(3,4)5/h8-9,11H,1-2,10H2,3-7H3/t11-,13+/m1/s1
InChIKeySGSDWLHWYGICEW-YPMHNXCESA-N
MW224.42 g/mol
LogP3.93
Rot. Bonds4

About tert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane

tert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane (PubChem CID 101267815) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is tert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane
PubChem CID101267815
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Nametert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane
SMILESC=CC[C@@]1([Si](C)(C)C(C)(C)C)O[C@@H]1C=C
InChIInChI=1S/C13H24OSi/c1-8-10-13(11(9-2)14-13)15(6,7)12(3,4)5/h8-9,11H,1-2,10H2,3-7H3/t11-,13+/m1/s1
InChIKeySGSDWLHWYGICEW-YPMHNXCESA-N
XLogP3.93
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.93
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'}

Analyze tert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane (CID 101267815) is tert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane is C=CC[C@@]1([Si](C)(C)C(C)(C)C)O[C@@H]1C=C.
What is the InChIKey of tert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane?
The InChIKey is SGSDWLHWYGICEW-YPMHNXCESA-N. The full InChI is InChI=1S/C13H24OSi/c1-8-10-13(11(9-2)14-13)15(6,7)12(3,4)5/h8-9,11H,1-2,10H2,3-7H3/t11-,13+/m1/s1.
What are the key properties of tert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane?
tert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R)-3-ethenyl-2-prop-2-enyloxiran-2-yl]-dimethylsilane is sourced from PubChem (CID 101267815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).