ethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene

C29H46O5Si — CID 161319985

IUPACethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
SMILESC=C[Si](OC(C)C)(OC(C)C)OC(C)C.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2.C11H24O3Si/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;1-8-15(12-9(2)3,13-10(4)5)14-11(6)7/h5-14H,1-4H3;8-11H,1H2,2-7H3
InChIKeyVJZXMZZBCBEQOD-UHFFFAOYSA-N
MW502.77 g/mol
LogP7.73
Rot. Bonds12

About ethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene

ethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene (PubChem CID 161319985) has the molecular formula C29H46O5Si and a molecular weight of 502.77 g/mol. Its IUPAC name is ethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene.

Molecular Properties

Compound Nameethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
PubChem CID161319985
Molecular FormulaC29H46O5Si
Molecular Weight502.77 g/mol
Exact Mass502.31
IUPAC Nameethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
SMILESC=C[Si](OC(C)C)(OC(C)C)OC(C)C.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2.C11H24O3Si/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;1-8-15(12-9(2)3,13-10(4)5)14-11(6)7/h5-14H,1-4H3;8-11H,1H2,2-7H3
InChIKeyVJZXMZZBCBEQOD-UHFFFAOYSA-N
XLogP7.73
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.77
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 159050538
2-but-3-en-2-ylperoxypropan-2-ylbenzene
CID 23166979
ethenyl-tri(propan-2-yloxy)silane;silane
CID 160875763
2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
CID 71441209
cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174748033
dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174507938
[diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene
CID 13066047
carboxy hydrogen carbonate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175134122
bis(2-phenylpropan-2-yloxy)silane
CID 173308139
zinc;bis(2-methylprop-2-enoate);2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175350674
2-ethylperoxypropan-2-ylbenzene
CID 14923166

Frequently Asked Questions

What is the IUPAC name of ethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The IUPAC name of ethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene (CID 161319985) is ethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene.
What is the SMILES notation for ethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The canonical SMILES for ethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene is C=C[Si](OC(C)C)(OC(C)C)OC(C)C.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of ethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The InChIKey is VJZXMZZBCBEQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2.C11H24O3Si/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;1-8-15(12-9(2)3,13-10(4)5)14-11(6)7/h5-14H,1-4H3;8-11H,1H2,2-7H3.
What are the key properties of ethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
ethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene has a molecular weight of 502.77 g/mol, XLogP of 7.73, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene is sourced from PubChem (CID 161319985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).