tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane

C18H40O3Si2 — CID 15191106

IUPACtert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane
SMILESC=CCOCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-12-13-19-14-16(21-23(10,11)18(5,6)7)15-20-22(8,9)17(2,3)4/h12,16H,1,13-15H2,2-11H3
InChIKeyKFEHYPMOEXXICJ-UHFFFAOYSA-N
MW360.69 g/mol
LogP5.60
Rot. Bonds9

About tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane

tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane (PubChem CID 15191106) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane
PubChem CID15191106
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Nametert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane
SMILESC=CCOCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-12-13-19-14-16(21-23(10,11)18(5,6)7)15-20-22(8,9)17(2,3)4/h12,16H,1,13-15H2,2-11H3
InChIKeyKFEHYPMOEXXICJ-UHFFFAOYSA-N
XLogP5.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane (CID 15191106) is tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane is C=CCOCC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane?
The InChIKey is KFEHYPMOEXXICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-12-13-19-14-16(21-23(10,11)18(5,6)7)15-20-22(8,9)17(2,3)4/h12,16H,1,13-15H2,2-11H3.
What are the key properties of tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane?
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane has a molecular weight of 360.69 g/mol, XLogP of 5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 15191106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).