tris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane

C21H32O6Si — CID 67882512

IUPACtris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane
SMILESCOCC(C)=CO[Si](OC=C(C)COC)(OC=C(C)COC)c1ccccc1
InChIInChI=1S/C21H32O6Si/c1-18(12-22-4)15-25-28(21-10-8-7-9-11-21,26-16-19(2)13-23-5)27-17-20(3)14-24-6/h7-11,15-17H,12-14H2,1-6H3
InChIKeyQWKILSQSWLZCFZ-UHFFFAOYSA-N
MW408.57 g/mol
LogP3.53
Rot. Bonds13

About tris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane

tris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane (PubChem CID 67882512) has the molecular formula C21H32O6Si and a molecular weight of 408.57 g/mol. Its IUPAC name is tris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane.

Molecular Properties

Compound Nametris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane
PubChem CID67882512
Molecular FormulaC21H32O6Si
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Nametris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane
SMILESCOCC(C)=CO[Si](OC=C(C)COC)(OC=C(C)COC)c1ccccc1
InChIInChI=1S/C21H32O6Si/c1-18(12-22-4)15-25-28(21-10-8-7-9-11-21,26-16-19(2)13-23-5)27-17-20(3)14-24-6/h7-11,15-17H,12-14H2,1-6H3
InChIKeyQWKILSQSWLZCFZ-UHFFFAOYSA-N
XLogP3.53
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[diacetyloxy(phenyl)silyl] 2-methoxyacetate
CID 67232627
[dimethoxy(phenyl)silyl] acetate
CID 66889787
N-ethenylmethanimine;(E)-1-methoxy-2-methylbut-2-ene;toluene
CID 142206770
dimethoxy-(3-methylbut-2-enoxy)-phenylsilane
CID 131745195
trimethoxy(phenyl)silane;hydrochloride
CID 140901295
ethyl acetate;trimethoxy(phenyl)silane
CID 175137156
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
dimethoxy(diphenyl)silane;methanol;trimethoxy(phenyl)silane
CID 160738945
2-(ethoxy-methoxy-phenylsilyl)oxyethanol
CID 140892700
boric acid;triethoxy(phenyl)silane
CID 174800585
ethane;triethoxy(phenyl)silane
CID 174836592
methane;methanol;phenylsilane;trimethoxy(phenyl)silane
CID 159581471

Frequently Asked Questions

What is the IUPAC name of tris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane?
The IUPAC name of tris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane (CID 67882512) is tris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane.
What is the SMILES notation for tris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane?
The canonical SMILES for tris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane is COCC(C)=CO[Si](OC=C(C)COC)(OC=C(C)COC)c1ccccc1.
What is the InChIKey of tris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane?
The InChIKey is QWKILSQSWLZCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O6Si/c1-18(12-22-4)15-25-28(21-10-8-7-9-11-21,26-16-19(2)13-23-5)27-17-20(3)14-24-6/h7-11,15-17H,12-14H2,1-6H3.
What are the key properties of tris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane?
tris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane has a molecular weight of 408.57 g/mol, XLogP of 3.53, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane is sourced from PubChem (CID 67882512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).