tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide

C24H26O4 — CID 174664507

IUPACtert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
SMILESCC(C)(C)OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OO
InChIInChI=1S/C24H24O2.H2O2/c1-23(2,3)26-22(25)24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;1-2/h4-18H,1-3H3;1-2H
InChIKeyUNFCRPYTGFQVNA-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.38
Rot. Bonds4

About tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide

tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide (PubChem CID 174664507) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide.

Molecular Properties

Compound Nametert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
PubChem CID174664507
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Nametert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
SMILESCC(C)(C)OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OO
InChIInChI=1S/C24H24O2.H2O2/c1-23(2,3)26-22(25)24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;1-2/h4-18H,1-3H3;1-2H
InChIKeyUNFCRPYTGFQVNA-UHFFFAOYSA-N
XLogP5.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate
CID 22605235
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 101134565
tert-butyl (2S)-2-(4-chlorophenyl)-2-hydroxy-2-phenylacetate
CID 138979093
tert-butyl 2-amino-3-oxo-2-phenylpropanoate
CID 154963550
tert-butyl 2-amino-3-methylsulfonyl-2-phenylpropanoate
CID 67941966
3-amino-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-phenylbutanoic acid
CID 77323942
tert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate
CID 71307394
tert-butyl 3-methyl-2-oxo-3-phenylbutanoate
CID 158932795
tert-butyl 2-benzoyl-3,3,3-trifluoro-2-phenylpropanoate
CID 157450024
benzoic acid;tert-butyl 2-amino-2-methylpropanoate
CID 175229994
tert-butyl acetate;trifluoromethylbenzene
CID 135377327
tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
CID 10891197

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide?
The IUPAC name of tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide (CID 174664507) is tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide.
What is the SMILES notation for tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide?
The canonical SMILES for tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide is CC(C)(C)OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OO.
What is the InChIKey of tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide?
The InChIKey is UNFCRPYTGFQVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2.H2O2/c1-23(2,3)26-22(25)24(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;1-2/h4-18H,1-3H3;1-2H.
What are the key properties of tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide?
tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide has a molecular weight of 378.47 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide is sourced from PubChem (CID 174664507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).