1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate

C18H28O4Si — CID 173266423

IUPAC1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate
SMILESC=C[Si](C)(C)c1ccc(C(=O)OOC(C)COC(C)(C)C)cc1
InChIInChI=1S/C18H28O4Si/c1-8-23(6,7)16-11-9-15(10-12-16)17(19)22-21-14(2)13-20-18(3,4)5/h8-12,14H,1,13H2,2-7H3
InChIKeyPHUVRHMOIYRIIK-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.62
Rot. Bonds7

About 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate

1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate (PubChem CID 173266423) has the molecular formula C18H28O4Si and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate
PubChem CID173266423
Molecular FormulaC18H28O4Si
Molecular Weight336.50 g/mol
Exact Mass336.18
IUPAC Name1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate
SMILESC=C[Si](C)(C)c1ccc(C(=O)OOC(C)COC(C)(C)C)cc1
InChIInChI=1S/C18H28O4Si/c1-8-23(6,7)16-11-9-15(10-12-16)17(19)22-21-14(2)13-20-18(3,4)5/h8-12,14H,1,13H2,2-7H3
InChIKeyPHUVRHMOIYRIIK-UHFFFAOYSA-N
XLogP3.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate (CID 173266423) is 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate is C=C[Si](C)(C)c1ccc(C(=O)OOC(C)COC(C)(C)C)cc1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate?
The InChIKey is PHUVRHMOIYRIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4Si/c1-8-23(6,7)16-11-9-15(10-12-16)17(19)22-21-14(2)13-20-18(3,4)5/h8-12,14H,1,13H2,2-7H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate?
1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate has a molecular weight of 336.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate is sourced from PubChem (CID 173266423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).