1-(2-hydroperoxypropan-2-yl)-4-[2-[2-[2-[[4-(2-hydroperoxypropan-2-yl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzene

C26H38O8 — CID 19825390

IUPAC1-(2-hydroperoxypropan-2-yl)-4-[2-[2-[2-[[4-(2-hydroperoxypropan-2-yl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzene
SMILESCC(C)(OO)c1ccc(COCCOCCOCCOCc2ccc(C(C)(C)OO)cc2)cc1
InChIInChI=1S/C26H38O8/c1-25(2,33-27)23-9-5-21(6-10-23)19-31-17-15-29-13-14-30-16-18-32-20-22-7-11-24(12-8-22)26(3,4)34-28/h5-12,27-28H,13-20H2,1-4H3
InChIKeyFZDASGQXJUNDQS-UHFFFAOYSA-N
MW478.58 g/mol
LogP4.90
Rot. Bonds17

About 1-(2-hydroperoxypropan-2-yl)-4-[2-[2-[2-[[4-(2-hydroperoxypropan-2-yl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzene

1-(2-hydroperoxypropan-2-yl)-4-[2-[2-[2-[[4-(2-hydroperoxypropan-2-yl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzene (PubChem CID 19825390) has the molecular formula C26H38O8 and a molecular weight of 478.58 g/mol. Its IUPAC name is 1-(2-hydroperoxypropan-2-yl)-4-[2-[2-[2-[[4-(2-hydroperoxypropan-2-yl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzene.

Molecular Properties

Compound Name1-(2-hydroperoxypropan-2-yl)-4-[2-[2-[2-[[4-(2-hydroperoxypropan-2-yl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzene
PubChem CID19825390
Molecular FormulaC26H38O8
Molecular Weight478.58 g/mol
Exact Mass478.26
IUPAC Name1-(2-hydroperoxypropan-2-yl)-4-[2-[2-[2-[[4-(2-hydroperoxypropan-2-yl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzene
SMILESCC(C)(OO)c1ccc(COCCOCCOCCOCc2ccc(C(C)(C)OO)cc2)cc1
InChIInChI=1S/C26H38O8/c1-25(2,33-27)23-9-5-21(6-10-23)19-31-17-15-29-13-14-30-16-18-32-20-22-7-11-24(12-8-22)26(3,4)34-28/h5-12,27-28H,13-20H2,1-4H3
InChIKeyFZDASGQXJUNDQS-UHFFFAOYSA-N
XLogP4.90
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 22506294
2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one
CID 68740379
1-tert-butyl-4-(trioxidanylmethyl)benzene
CID 88578180
1-O-[[4-(1-hydroperoxyethyl)phenyl]methyl] 4-O-[[4-(2-hydroperoxypropan-2-yl)phenyl]methyl] butanedioate
CID 155053480
2-[4-(ethoxymethyl)phenyl]propan-2-ol
CID 129179722
1-bromo-4-(3,3-dimethylbutoxymethyl)benzene
CID 66225376
2-[4-(2-propoxyethoxymethyl)phenyl]acetohydrazide
CID 105351528
N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 62457543
2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide
CID 105351577
tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane
CID 88618126
2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide
CID 116846699
2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
CID 130536986

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroperoxypropan-2-yl)-4-[2-[2-[2-[[4-(2-hydroperoxypropan-2-yl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzene?
The IUPAC name of 1-(2-hydroperoxypropan-2-yl)-4-[2-[2-[2-[[4-(2-hydroperoxypropan-2-yl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzene (CID 19825390) is 1-(2-hydroperoxypropan-2-yl)-4-[2-[2-[2-[[4-(2-hydroperoxypropan-2-yl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzene.
What is the SMILES notation for 1-(2-hydroperoxypropan-2-yl)-4-[2-[2-[2-[[4-(2-hydroperoxypropan-2-yl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzene?
The canonical SMILES for 1-(2-hydroperoxypropan-2-yl)-4-[2-[2-[2-[[4-(2-hydroperoxypropan-2-yl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzene is CC(C)(OO)c1ccc(COCCOCCOCCOCc2ccc(C(C)(C)OO)cc2)cc1.
What is the InChIKey of 1-(2-hydroperoxypropan-2-yl)-4-[2-[2-[2-[[4-(2-hydroperoxypropan-2-yl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzene?
The InChIKey is FZDASGQXJUNDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O8/c1-25(2,33-27)23-9-5-21(6-10-23)19-31-17-15-29-13-14-30-16-18-32-20-22-7-11-24(12-8-22)26(3,4)34-28/h5-12,27-28H,13-20H2,1-4H3.
What are the key properties of 1-(2-hydroperoxypropan-2-yl)-4-[2-[2-[2-[[4-(2-hydroperoxypropan-2-yl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzene?
1-(2-hydroperoxypropan-2-yl)-4-[2-[2-[2-[[4-(2-hydroperoxypropan-2-yl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzene has a molecular weight of 478.58 g/mol, XLogP of 4.90, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroperoxypropan-2-yl)-4-[2-[2-[2-[[4-(2-hydroperoxypropan-2-yl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]benzene is sourced from PubChem (CID 19825390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).