cumene;hydrogen peroxide

C9H14O2 — CID 21225480

IUPACcumene;hydrogen peroxide
SMILESCC(C)c1ccccc1.OO
InChIInChI=1S/C9H12.H2O2/c1-8(2)9-6-4-3-5-7-9;1-2/h3-8H,1-2H3;1-2H
InChIKeyMRIZMKJLUDDMHF-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.83
Rot. Bonds1

About cumene;hydrogen peroxide

cumene;hydrogen peroxide (PubChem CID 21225480) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is cumene;hydrogen peroxide.

Molecular Properties

Compound Namecumene;hydrogen peroxide
PubChem CID21225480
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namecumene;hydrogen peroxide
SMILESCC(C)c1ccccc1.OO
InChIInChI=1S/C9H12.H2O2/c1-8(2)9-6-4-3-5-7-9;1-2/h3-8H,1-2H3;1-2H
InChIKeyMRIZMKJLUDDMHF-UHFFFAOYSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.83
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

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cumene;ethane
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CID 87136222
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CID 161044029
cumene;methanethiol
CID 170640582
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CID 175202155

Frequently Asked Questions

What is the IUPAC name of cumene;hydrogen peroxide?
The IUPAC name of cumene;hydrogen peroxide (CID 21225480) is cumene;hydrogen peroxide.
What is the SMILES notation for cumene;hydrogen peroxide?
The canonical SMILES for cumene;hydrogen peroxide is CC(C)c1ccccc1.OO.
What is the InChIKey of cumene;hydrogen peroxide?
The InChIKey is MRIZMKJLUDDMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.H2O2/c1-8(2)9-6-4-3-5-7-9;1-2/h3-8H,1-2H3;1-2H.
What are the key properties of cumene;hydrogen peroxide?
cumene;hydrogen peroxide has a molecular weight of 154.21 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;hydrogen peroxide is sourced from PubChem (CID 21225480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).