1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide

C22H28O2 — CID 175056737

IUPAC1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
SMILESOO.c1cc(C2CCCC2)ccc1-c1ccc(C2CCCC2)cc1
InChIInChI=1S/C22H26.H2O2/c1-2-6-17(5-1)19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-7-3-4-8-18;1-2/h9-18H,1-8H2;1-2H
InChIKeyAWVHJCDLEBBRHQ-UHFFFAOYSA-N
MW324.46 g/mol
LogP6.69
Rot. Bonds3

About 1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide

1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide (PubChem CID 175056737) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is 1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide.

Molecular Properties

Compound Name1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
PubChem CID175056737
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Name1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
SMILESOO.c1cc(C2CCCC2)ccc1-c1ccc(C2CCCC2)cc1
InChIInChI=1S/C22H26.H2O2/c1-2-6-17(5-1)19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-7-3-4-8-18;1-2/h9-18H,1-8H2;1-2H
InChIKeyAWVHJCDLEBBRHQ-UHFFFAOYSA-N
XLogP6.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 56.69
H-Bond Donors ≤ 52
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

1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
4-[4-(4-cyclohexylphenyl)phenyl]cyclohexan-1-amine
CID 139515276
N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline
CID 171439106
2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid
CID 11522654
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
5-(4-cyclohexylphenyl)pyridine-2-carboxylic acid
CID 63424090
cyclopentylbenzene;iron
CID 158512704
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide?
The IUPAC name of 1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide (CID 175056737) is 1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide.
What is the SMILES notation for 1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide?
The canonical SMILES for 1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide is OO.c1cc(C2CCCC2)ccc1-c1ccc(C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide?
The InChIKey is AWVHJCDLEBBRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26.H2O2/c1-2-6-17(5-1)19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-7-3-4-8-18;1-2/h9-18H,1-8H2;1-2H.
What are the key properties of 1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide?
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide has a molecular weight of 324.46 g/mol, XLogP of 6.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide is sourced from PubChem (CID 175056737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).