1-benzylperoxyhexylperoxymethylbenzene

C20H26O4 — CID 141091564

IUPAC1-benzylperoxyhexylperoxymethylbenzene
SMILESCCCCCC(OOCc1ccccc1)OOCc1ccccc1
InChIInChI=1S/C20H26O4/c1-2-3-6-15-20(23-21-16-18-11-7-4-8-12-18)24-22-17-19-13-9-5-10-14-19/h4-5,7-14,20H,2-3,6,15-17H2,1H3
InChIKeyPSTRPXTYMOXKHU-UHFFFAOYSA-N
MW330.42 g/mol
LogP5.19
Rot. Bonds12

About 1-benzylperoxyhexylperoxymethylbenzene

1-benzylperoxyhexylperoxymethylbenzene (PubChem CID 141091564) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 1-benzylperoxyhexylperoxymethylbenzene.

Molecular Properties

Compound Name1-benzylperoxyhexylperoxymethylbenzene
PubChem CID141091564
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name1-benzylperoxyhexylperoxymethylbenzene
SMILESCCCCCC(OOCc1ccccc1)OOCc1ccccc1
InChIInChI=1S/C20H26O4/c1-2-3-6-15-20(23-21-16-18-11-7-4-8-12-18)24-22-17-19-13-9-5-10-14-19/h4-5,7-14,20H,2-3,6,15-17H2,1H3
InChIKeyPSTRPXTYMOXKHU-UHFFFAOYSA-N
XLogP5.19
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.42
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Analyze 1-benzylperoxyhexylperoxymethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dodecylperoxymethylbenzene
CID 88509810
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
1-phenylmethoxydecan-1-ol
CID 152749890
2-benzyloctoxymethylbenzene
CID 134979791
2-benzyltetradecylbenzene
CID 22920205
butan-2-ylperoxymethylbenzene
CID 151429391
2-octadecan-5-yloxyethoxymethylbenzene
CID 122548106
(2S,3R)-2-amino-1-phenyloctadecan-3-ol
CID 118735812
N-phenylmethoxyheptan-2-amine
CID 82709260
3-benzylperoxy-3-dodecoxypropane-1,2-diol
CID 151185608
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
ethane;2-methylheptylbenzene
CID 142204161

Frequently Asked Questions

What is the IUPAC name of 1-benzylperoxyhexylperoxymethylbenzene?
The IUPAC name of 1-benzylperoxyhexylperoxymethylbenzene (CID 141091564) is 1-benzylperoxyhexylperoxymethylbenzene.
What is the SMILES notation for 1-benzylperoxyhexylperoxymethylbenzene?
The canonical SMILES for 1-benzylperoxyhexylperoxymethylbenzene is CCCCCC(OOCc1ccccc1)OOCc1ccccc1.
What is the InChIKey of 1-benzylperoxyhexylperoxymethylbenzene?
The InChIKey is PSTRPXTYMOXKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c1-2-3-6-15-20(23-21-16-18-11-7-4-8-12-18)24-22-17-19-13-9-5-10-14-19/h4-5,7-14,20H,2-3,6,15-17H2,1H3.
What are the key properties of 1-benzylperoxyhexylperoxymethylbenzene?
1-benzylperoxyhexylperoxymethylbenzene has a molecular weight of 330.42 g/mol, XLogP of 5.19, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylperoxyhexylperoxymethylbenzene is sourced from PubChem (CID 141091564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).