tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate

C24H30O6 — CID 88715166

IUPACtert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccccc1OOc1ccccc1CC(=O)OC(C)(C)C
InChIInChI=1S/C24H30O6/c1-23(2,3)27-21(25)15-17-11-7-9-13-19(17)29-30-20-14-10-8-12-18(20)16-22(26)28-24(4,5)6/h7-14H,15-16H2,1-6H3
InChIKeyFZEQMHJUNVQVJS-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.83
Rot. Bonds7

About tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate

tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate (PubChem CID 88715166) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate
PubChem CID88715166
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Nametert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccccc1OOc1ccccc1CC(=O)OC(C)(C)C
InChIInChI=1S/C24H30O6/c1-23(2,3)27-21(25)15-17-11-7-9-13-19(17)29-30-20-14-10-8-12-18(20)16-22(26)28-24(4,5)6/h7-14H,15-16H2,1-6H3
InChIKeyFZEQMHJUNVQVJS-UHFFFAOYSA-N
XLogP4.83
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl 2-(2-cyano-3-pyridinyl)acetate
CID 135394891
tert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate?
The IUPAC name of tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate (CID 88715166) is tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate.
What is the SMILES notation for tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate?
The canonical SMILES for tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate is CC(C)(C)OC(=O)Cc1ccccc1OOc1ccccc1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate?
The InChIKey is FZEQMHJUNVQVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6/c1-23(2,3)27-21(25)15-17-11-7-9-13-19(17)29-30-20-14-10-8-12-18(20)16-22(26)28-24(4,5)6/h7-14H,15-16H2,1-6H3.
What are the key properties of tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate?
tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate has a molecular weight of 414.50 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate is sourced from PubChem (CID 88715166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).