tert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane

C12H26O2Si — CID 23443487

IUPACtert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane
SMILESCCC1OC1C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-10-11(13-10)9(2)14-15(6,7)12(3,4)5/h9-11H,8H2,1-7H3
InChIKeyBDWQJJKNBASSHP-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.57
Rot. Bonds4

About tert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane

tert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane (PubChem CID 23443487) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is tert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane
PubChem CID23443487
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Nametert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane
SMILESCCC1OC1C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-10-11(13-10)9(2)14-15(6,7)12(3,4)5/h9-11H,8H2,1-7H3
InChIKeyBDWQJJKNBASSHP-UHFFFAOYSA-N
XLogP3.57
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane (CID 23443487) is tert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane is CCC1OC1C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane?
The InChIKey is BDWQJJKNBASSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-8-10-11(13-10)9(2)14-15(6,7)12(3,4)5/h9-11H,8H2,1-7H3.
What are the key properties of tert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane?
tert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane has a molecular weight of 230.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(3-ethyloxiran-2-yl)ethoxy]-dimethylsilane is sourced from PubChem (CID 23443487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).