[1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene

C24H34O2 — CID 149433737

IUPAC[1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene
SMILESCC(C)(C)CC(OOC(CC(C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34O2/c1-23(2,3)17-21(19-13-9-7-10-14-19)25-26-22(18-24(4,5)6)20-15-11-8-12-16-20/h7-16,21-22H,17-18H2,1-6H3
InChIKeyRPMHJWVSMDDQKP-UHFFFAOYSA-N
MW354.53 g/mol
LogP7.29
Rot. Bonds7

About [1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene

[1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene (PubChem CID 149433737) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is [1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene.

Molecular Properties

Compound Name[1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene
PubChem CID149433737
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name[1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene
SMILESCC(C)(C)CC(OOC(CC(C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34O2/c1-23(2,3)17-21(19-13-9-7-10-14-19)25-26-22(18-24(4,5)6)20-15-11-8-12-16-20/h7-16,21-22H,17-18H2,1-6H3
InChIKeyRPMHJWVSMDDQKP-UHFFFAOYSA-N
XLogP7.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 57.29
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

2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol
CID 154659185
(3,3-dimethyl-1-phenylbutyl)silane
CID 173451973
2,2,5,5,6,7,7-heptamethyloctan-4-ylbenzene
CID 90806094
2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol
CID 142601392
1-[1-[3,3-dimethyl-1-(3-methylphenyl)butoxy]-3,3-dimethylbutyl]-3-methylbenzene
CID 169096962
(1-tert-butylperoxy-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)benzene
CID 175043636
(1-tert-butylperoxy-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)benzene
CID 175044031
2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine
CID 58172290
1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 91223677
(2S)-4-methoxy-4-phenyl-2-trimethylsilylbutan-2-ol
CID 102301293
[3,3-dimethyl-1-(sulfamoylamino)butyl]benzene
CID 112684756

Frequently Asked Questions

What is the IUPAC name of [1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene?
The IUPAC name of [1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene (CID 149433737) is [1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene.
What is the SMILES notation for [1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene?
The canonical SMILES for [1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene is CC(C)(C)CC(OOC(CC(C)(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of [1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene?
The InChIKey is RPMHJWVSMDDQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-23(2,3)17-21(19-13-9-7-10-14-19)25-26-22(18-24(4,5)6)20-15-11-8-12-16-20/h7-16,21-22H,17-18H2,1-6H3.
What are the key properties of [1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene?
[1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene has a molecular weight of 354.53 g/mol, XLogP of 7.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene is sourced from PubChem (CID 149433737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).