3-hydroperoxy-1,2,4,5-tetramethylbenzene

C10H14O2 — CID 88709611

IUPAC3-hydroperoxy-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(OO)c1C
InChIInChI=1S/C10H14O2/c1-6-5-7(2)9(4)10(12-11)8(6)3/h5,11H,1-4H3
InChIKeyZVIWERPBGLJGQZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.77
Rot. Bonds1

About 3-hydroperoxy-1,2,4,5-tetramethylbenzene

3-hydroperoxy-1,2,4,5-tetramethylbenzene (PubChem CID 88709611) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-hydroperoxy-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name3-hydroperoxy-1,2,4,5-tetramethylbenzene
PubChem CID88709611
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-hydroperoxy-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(OO)c1C
InChIInChI=1S/C10H14O2/c1-6-5-7(2)9(4)10(12-11)8(6)3/h5,11H,1-4H3
InChIKeyZVIWERPBGLJGQZ-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-hydroperoxy-1,2,4,5-tetramethylbenzene?
The IUPAC name of 3-hydroperoxy-1,2,4,5-tetramethylbenzene (CID 88709611) is 3-hydroperoxy-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 3-hydroperoxy-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 3-hydroperoxy-1,2,4,5-tetramethylbenzene is Cc1cc(C)c(C)c(OO)c1C.
What is the InChIKey of 3-hydroperoxy-1,2,4,5-tetramethylbenzene?
The InChIKey is ZVIWERPBGLJGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-6-5-7(2)9(4)10(12-11)8(6)3/h5,11H,1-4H3.
What are the key properties of 3-hydroperoxy-1,2,4,5-tetramethylbenzene?
3-hydroperoxy-1,2,4,5-tetramethylbenzene has a molecular weight of 166.22 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroperoxy-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 88709611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).