[2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene

C32H50O2 — CID 141207627

IUPAC[2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene
SMILESCC(C)C(C(C)(C)C)C(C)(OOC(C)(c1ccccc1)C(C(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C32H50O2/c1-23(2)27(29(5,6)7)31(11,25-19-15-13-16-20-25)33-34-32(12,26-21-17-14-18-22-26)28(24(3)4)30(8,9)10/h13-24,27-28H,1-12H3
InChIKeyXAXWCIUWPWBTDS-UHFFFAOYSA-N
MW466.75 g/mol
LogP9.40
Rot. Bonds9

About [2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene

[2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene (PubChem CID 141207627) has the molecular formula C32H50O2 and a molecular weight of 466.75 g/mol. Its IUPAC name is [2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene.

Molecular Properties

Compound Name[2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene
PubChem CID141207627
Molecular FormulaC32H50O2
Molecular Weight466.75 g/mol
Exact Mass466.38
IUPAC Name[2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene
SMILESCC(C)C(C(C)(C)C)C(C)(OOC(C)(c1ccccc1)C(C(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C32H50O2/c1-23(2)27(29(5,6)7)31(11,25-19-15-13-16-20-25)33-34-32(12,26-21-17-14-18-22-26)28(24(3)4)30(8,9)10/h13-24,27-28H,1-12H3
InChIKeyXAXWCIUWPWBTDS-UHFFFAOYSA-N
XLogP9.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.75
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[3-tert-butyl-2-(3-tert-butyl-2-phenylheptan-2-yl)peroxyheptan-2-yl]benzene
CID 141102212
2,4-dimethyl-2-phenyl(313C)pentan-3-ol
CID 12036606
(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol
CID 101412286
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
1,1,2-trimethoxypropan-2-ylbenzene
CID 14068454
(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene
CID 13047702
azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 159050538
2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
CID 71441209
(2S)-2-phenylbutane-2,3-diamine
CID 175403934
[(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate
CID 134546197
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456

Frequently Asked Questions

What is the IUPAC name of [2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene?
The IUPAC name of [2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene (CID 141207627) is [2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene.
What is the SMILES notation for [2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene?
The canonical SMILES for [2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene is CC(C)C(C(C)(C)C)C(C)(OOC(C)(c1ccccc1)C(C(C)C)C(C)(C)C)c1ccccc1.
What is the InChIKey of [2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene?
The InChIKey is XAXWCIUWPWBTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O2/c1-23(2)27(29(5,6)7)31(11,25-19-15-13-16-20-25)33-34-32(12,26-21-17-14-18-22-26)28(24(3)4)30(8,9)10/h13-24,27-28H,1-12H3.
What are the key properties of [2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene?
[2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene has a molecular weight of 466.75 g/mol, XLogP of 9.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-dimethyl-2-phenyl-3-propan-2-ylpentan-2-yl)peroxy-4,4-dimethyl-3-propan-2-ylpentan-2-yl]benzene is sourced from PubChem (CID 141207627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).