2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene

C32H50O8 — CID 171749550

IUPAC2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene
SMILESCCC(C)(OOC(C)(CC)OOC(C)(CC)c1ccccc1)OOC(C)(CC)OOC(C)(CC)c1ccccc1
InChIInChI=1S/C32H50O8/c1-11-28(6,26-22-18-16-19-23-26)33-35-30(8,13-3)37-39-32(10,15-5)40-38-31(9,14-4)36-34-29(7,12-2)27-24-20-17-21-25-27/h16-25H,11-15H2,1-10H3
InChIKeyPXDJMVIOQPNAGT-UHFFFAOYSA-N
MW562.74 g/mol
LogP8.81
Rot. Bonds19

About 2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene

2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene (PubChem CID 171749550) has the molecular formula C32H50O8 and a molecular weight of 562.74 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene.

Molecular Properties

Compound Name2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene
PubChem CID171749550
Molecular FormulaC32H50O8
Molecular Weight562.74 g/mol
Exact Mass562.35
IUPAC Name2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene
SMILESCCC(C)(OOC(C)(CC)OOC(C)(CC)c1ccccc1)OOC(C)(CC)OOC(C)(CC)c1ccccc1
InChIInChI=1S/C32H50O8/c1-11-28(6,26-22-18-16-19-23-26)33-35-30(8,13-3)37-39-32(10,15-5)40-38-31(9,14-4)36-34-29(7,12-2)27-24-20-17-21-25-27/h16-25H,11-15H2,1-10H3
InChIKeyPXDJMVIOQPNAGT-UHFFFAOYSA-N
XLogP8.81
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.74
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-(2-phenylbutan-2-ylperoxy)pentan-3-ylperoxy]pentan-3-ylperoxy]butan-2-ylbenzene
CID 171749540
2-hydroperoxybutan-2-ylbenzene
CID 15510207
2-phenylbutan-2-yl ethaneperoxoate
CID 167293135
(2-tert-butylperoxy-4-methylpentan-2-yl)benzene
CID 54108901
2-ethylperoxypropan-2-ylbenzene
CID 14923166
1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene
CID 5105675
2-chlorobutan-2-ylbenzene;ethane
CID 123404536
2-phenylbutan-2-yl 2-methylbutanoate
CID 59331016
ethane;3-methylpentan-3-ylbenzene
CID 90745317
2-phenylpentan-2-yloxysilane
CID 123717994
(4,4-dimethyl-2-phenylhexan-2-yl)benzene
CID 59841354
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene?
The IUPAC name of 2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene (CID 171749550) is 2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene.
What is the SMILES notation for 2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene?
The canonical SMILES for 2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene is CCC(C)(OOC(C)(CC)OOC(C)(CC)c1ccccc1)OOC(C)(CC)OOC(C)(CC)c1ccccc1.
What is the InChIKey of 2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene?
The InChIKey is PXDJMVIOQPNAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O8/c1-11-28(6,26-22-18-16-19-23-26)33-35-30(8,13-3)37-39-32(10,15-5)40-38-31(9,14-4)36-34-29(7,12-2)27-24-20-17-21-25-27/h16-25H,11-15H2,1-10H3.
What are the key properties of 2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene?
2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene has a molecular weight of 562.74 g/mol, XLogP of 8.81, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene is sourced from PubChem (CID 171749550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).