2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene

C26H36O4 — CID 59265327

IUPAC2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene
SMILESCc1ccc(OOCc2ccc(OCCCCOC3CCC(C)CC3)c(C)c2)cc1
InChIInChI=1S/C26H36O4/c1-20-6-11-24(12-7-20)27-16-4-5-17-28-26-15-10-23(18-22(26)3)19-29-30-25-13-8-21(2)9-14-25/h8-10,13-15,18,20,24H,4-7,11-12,16-17,19H2,1-3H3
InChIKeyZEOCKZZOXVDLPJ-UHFFFAOYSA-N
MW412.57 g/mol
LogP6.57
Rot. Bonds11

About 2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene

2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene (PubChem CID 59265327) has the molecular formula C26H36O4 and a molecular weight of 412.57 g/mol. Its IUPAC name is 2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene.

Molecular Properties

Compound Name2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene
PubChem CID59265327
Molecular FormulaC26H36O4
Molecular Weight412.57 g/mol
Exact Mass412.26
IUPAC Name2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene
SMILESCc1ccc(OOCc2ccc(OCCCCOC3CCC(C)CC3)c(C)c2)cc1
InChIInChI=1S/C26H36O4/c1-20-6-11-24(12-7-20)27-16-4-5-17-28-26-15-10-23(18-22(26)3)19-29-30-25-13-8-21(2)9-14-25/h8-10,13-15,18,20,24H,4-7,11-12,16-17,19H2,1-3H3
InChIKeyZEOCKZZOXVDLPJ-UHFFFAOYSA-N
XLogP6.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.57
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene
CID 59265586
1-methyl-4-[6-[4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxybutoxy]cyclohexyl]oxyhexoxy]benzene
CID 59265557
1-methyl-4-[[4-[(4-methylphenyl)methylperoxy]phenyl]methylperoxy]benzene
CID 58882996
1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene
CID 91279991
2-methyl-6-[(4-methylphenyl)peroxymethyl]naphthalene
CID 20724518
1-(2-cyclopropyloxyethoxy)-4-methylbenzene
CID 153135187
1-methyl-4-[4-[(4-methylphenyl)peroxymethyl]phenyl]benzene
CID 20753695
1,3-difluoro-5-(4-methylphenyl)-2-[3-[4-(4-pentoxyphenyl)cyclohexyl]oxypropoxy]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 91318922
1-[6-[4-(6-methoxyhexoxy)cyclohexyl]hexoxy]-4-[[4-(4-methylcyclohexyl)cyclohexyl]peroxymethyl]benzene
CID 59265444
2-(3,4-difluorophenyl)-5-[2,6-dimethyl-4-[3-(4-methylcyclohexyl)oxypropyl]phenyl]-1,3-dimethylbenzene
CID 59931486
[2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine
CID 43254199
1-dodecoxy-4-[4-(4-dodecoxyphenyl)phenyl]-2-methylbenzene
CID 59593849

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene?
The IUPAC name of 2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene (CID 59265327) is 2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene.
What is the SMILES notation for 2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene?
The canonical SMILES for 2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene is Cc1ccc(OOCc2ccc(OCCCCOC3CCC(C)CC3)c(C)c2)cc1.
What is the InChIKey of 2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene?
The InChIKey is ZEOCKZZOXVDLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O4/c1-20-6-11-24(12-7-20)27-16-4-5-17-28-26-15-10-23(18-22(26)3)19-29-30-25-13-8-21(2)9-14-25/h8-10,13-15,18,20,24H,4-7,11-12,16-17,19H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene?
2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene has a molecular weight of 412.57 g/mol, XLogP of 6.57, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(4-methylcyclohexyl)oxybutoxy]-4-[(4-methylphenyl)peroxymethyl]benzene is sourced from PubChem (CID 59265327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).