[(E)-3-(2-tert-butyl-1,3-oxazol-4-yl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane

C20H37NO2Si — CID 101050309

IUPAC[(E)-3-(2-tert-butyl-1,3-oxazol-4-yl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane
SMILESC/C(=C\c1coc(C(C)(C)C)n1)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H37NO2Si/c1-14(2)24(15(3)4,16(5)6)23-12-17(7)11-18-13-22-19(21-18)20(8,9)10/h11,13-16H,12H2,1-10H3/b17-11+
InChIKeyXWNVJYFWXRLJRP-GZTJUZNOSA-N
MW351.61 g/mol
LogP6.57
Rot. Bonds7

About [(E)-3-(2-tert-butyl-1,3-oxazol-4-yl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane

[(E)-3-(2-tert-butyl-1,3-oxazol-4-yl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane (PubChem CID 101050309) has the molecular formula C20H37NO2Si and a molecular weight of 351.61 g/mol. Its IUPAC name is [(E)-3-(2-tert-butyl-1,3-oxazol-4-yl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-3-(2-tert-butyl-1,3-oxazol-4-yl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane
PubChem CID101050309
Molecular FormulaC20H37NO2Si
Molecular Weight351.61 g/mol
Exact Mass351.26
IUPAC Name[(E)-3-(2-tert-butyl-1,3-oxazol-4-yl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane
SMILESC/C(=C\c1coc(C(C)(C)C)n1)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H37NO2Si/c1-14(2)24(15(3)4,16(5)6)23-12-17(7)11-18-13-22-19(21-18)20(8,9)10/h11,13-16H,12H2,1-10H3/b17-11+
InChIKeyXWNVJYFWXRLJRP-GZTJUZNOSA-N
XLogP6.57
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.61
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(2-tert-butyl-1,3-oxazol-4-yl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-3-(2-tert-butyl-1,3-oxazol-4-yl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane (CID 101050309) is [(E)-3-(2-tert-butyl-1,3-oxazol-4-yl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-3-(2-tert-butyl-1,3-oxazol-4-yl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-3-(2-tert-butyl-1,3-oxazol-4-yl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane is C/C(=C\c1coc(C(C)(C)C)n1)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E)-3-(2-tert-butyl-1,3-oxazol-4-yl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane?
The InChIKey is XWNVJYFWXRLJRP-GZTJUZNOSA-N. The full InChI is InChI=1S/C20H37NO2Si/c1-14(2)24(15(3)4,16(5)6)23-12-17(7)11-18-13-22-19(21-18)20(8,9)10/h11,13-16H,12H2,1-10H3/b17-11+.
What are the key properties of [(E)-3-(2-tert-butyl-1,3-oxazol-4-yl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane?
[(E)-3-(2-tert-butyl-1,3-oxazol-4-yl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane has a molecular weight of 351.61 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(2-tert-butyl-1,3-oxazol-4-yl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 101050309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).