1,3-dicyclohexylbenzene;hydrogen peroxide

C18H30O4 — CID 88772360

IUPAC1,3-dicyclohexylbenzene;hydrogen peroxide
SMILESOO.OO.c1cc(C2CCCCC2)cc(C2CCCCC2)c1
InChIInChI=1S/C18H26.2H2O2/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-2/h7,12-16H,1-6,8-11H2;2*1-2H
InChIKeyKGWLWDWCAPHWDF-UHFFFAOYSA-N
MW310.43 g/mol
LogP5.82
Rot. Bonds2

About 1,3-dicyclohexylbenzene;hydrogen peroxide

1,3-dicyclohexylbenzene;hydrogen peroxide (PubChem CID 88772360) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is 1,3-dicyclohexylbenzene;hydrogen peroxide.

Molecular Properties

Compound Name1,3-dicyclohexylbenzene;hydrogen peroxide
PubChem CID88772360
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name1,3-dicyclohexylbenzene;hydrogen peroxide
SMILESOO.OO.c1cc(C2CCCCC2)cc(C2CCCCC2)c1
InChIInChI=1S/C18H26.2H2O2/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-2/h7,12-16H,1-6,8-11H2;2*1-2H
InChIKeyKGWLWDWCAPHWDF-UHFFFAOYSA-N
XLogP5.82
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.43
LogP ≤ 55.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

3-cyclohexylphenol
CID 16036
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
1-cyclohexyl-3-iodobenzene
CID 155943278
3-cycloheptylaniline
CID 22019641
CID 159076923
CID 159076923
2-(3-cyclobutylphenyl)cycloheptan-1-ol
CID 114605746
(3-cycloheptylphenyl)methanol
CID 84672634
1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene
CID 168854089
cyclopentylbenzene;iron
CID 158512704
(3-cyclopentylphenyl)boronic acid
CID 68785037
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid
CID 117399711

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexylbenzene;hydrogen peroxide?
The IUPAC name of 1,3-dicyclohexylbenzene;hydrogen peroxide (CID 88772360) is 1,3-dicyclohexylbenzene;hydrogen peroxide.
What is the SMILES notation for 1,3-dicyclohexylbenzene;hydrogen peroxide?
The canonical SMILES for 1,3-dicyclohexylbenzene;hydrogen peroxide is OO.OO.c1cc(C2CCCCC2)cc(C2CCCCC2)c1.
What is the InChIKey of 1,3-dicyclohexylbenzene;hydrogen peroxide?
The InChIKey is KGWLWDWCAPHWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26.2H2O2/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;2*1-2/h7,12-16H,1-6,8-11H2;2*1-2H.
What are the key properties of 1,3-dicyclohexylbenzene;hydrogen peroxide?
1,3-dicyclohexylbenzene;hydrogen peroxide has a molecular weight of 310.43 g/mol, XLogP of 5.82, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexylbenzene;hydrogen peroxide is sourced from PubChem (CID 88772360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).