tert-butyl-(tert-butyl-ethyl-methylsilyl)oxy-ethyl-methylsilane;ethenone

C16H36O2Si2 — CID 87069101

IUPACtert-butyl-(tert-butyl-ethyl-methylsilyl)oxy-ethyl-methylsilane;ethenone
SMILESC=C=O.CC[Si](C)(O[Si](C)(CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H34OSi2.C2H2O/c1-11-16(9,13(3,4)5)15-17(10,12-2)14(6,7)8;1-2-3/h11-12H2,1-10H3;1H2
InChIKeyUEDQTMODLFFZAY-UHFFFAOYSA-N
MW316.63 g/mol
LogP5.80
Rot. Bonds4

About tert-butyl-(tert-butyl-ethyl-methylsilyl)oxy-ethyl-methylsilane;ethenone

tert-butyl-(tert-butyl-ethyl-methylsilyl)oxy-ethyl-methylsilane;ethenone (PubChem CID 87069101) has the molecular formula C16H36O2Si2 and a molecular weight of 316.63 g/mol. Its IUPAC name is tert-butyl-(tert-butyl-ethyl-methylsilyl)oxy-ethyl-methylsilane;ethenone.

Molecular Properties

Compound Nametert-butyl-(tert-butyl-ethyl-methylsilyl)oxy-ethyl-methylsilane;ethenone
PubChem CID87069101
Molecular FormulaC16H36O2Si2
Molecular Weight316.63 g/mol
Exact Mass316.23
IUPAC Nametert-butyl-(tert-butyl-ethyl-methylsilyl)oxy-ethyl-methylsilane;ethenone
SMILESC=C=O.CC[Si](C)(O[Si](C)(CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H34OSi2.C2H2O/c1-11-16(9,13(3,4)5)15-17(10,12-2)14(6,7)8;1-2-3/h11-12H2,1-10H3;1H2
InChIKeyUEDQTMODLFFZAY-UHFFFAOYSA-N
XLogP5.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.63
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(tert-butyl-ethyl-methylsilyl)oxy-ethyl-methylsilane;ethenone?
The IUPAC name of tert-butyl-(tert-butyl-ethyl-methylsilyl)oxy-ethyl-methylsilane;ethenone (CID 87069101) is tert-butyl-(tert-butyl-ethyl-methylsilyl)oxy-ethyl-methylsilane;ethenone.
What is the SMILES notation for tert-butyl-(tert-butyl-ethyl-methylsilyl)oxy-ethyl-methylsilane;ethenone?
The canonical SMILES for tert-butyl-(tert-butyl-ethyl-methylsilyl)oxy-ethyl-methylsilane;ethenone is C=C=O.CC[Si](C)(O[Si](C)(CC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-(tert-butyl-ethyl-methylsilyl)oxy-ethyl-methylsilane;ethenone?
The InChIKey is UEDQTMODLFFZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34OSi2.C2H2O/c1-11-16(9,13(3,4)5)15-17(10,12-2)14(6,7)8;1-2-3/h11-12H2,1-10H3;1H2.
What are the key properties of tert-butyl-(tert-butyl-ethyl-methylsilyl)oxy-ethyl-methylsilane;ethenone?
tert-butyl-(tert-butyl-ethyl-methylsilyl)oxy-ethyl-methylsilane;ethenone has a molecular weight of 316.63 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(tert-butyl-ethyl-methylsilyl)oxy-ethyl-methylsilane;ethenone is sourced from PubChem (CID 87069101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).