1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene

C11H15BrO4 — CID 21350842

IUPAC1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene
SMILESCOOCc1cc(C)c(Br)cc1COOC
InChIInChI=1S/C11H15BrO4/c1-8-4-9(6-15-13-2)10(5-11(8)12)7-16-14-3/h4-5H,6-7H2,1-3H3
InChIKeyNLBGOBFIPRPZQE-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.91
Rot. Bonds6

About 1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene

1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene (PubChem CID 21350842) has the molecular formula C11H15BrO4 and a molecular weight of 291.14 g/mol. Its IUPAC name is 1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene
PubChem CID21350842
Molecular FormulaC11H15BrO4
Molecular Weight291.14 g/mol
Exact Mass290.02
IUPAC Name1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene
SMILESCOOCc1cc(C)c(Br)cc1COOC
InChIInChI=1S/C11H15BrO4/c1-8-4-9(6-15-13-2)10(5-11(8)12)7-16-14-3/h4-5H,6-7H2,1-3H3
InChIKeyNLBGOBFIPRPZQE-UHFFFAOYSA-N
XLogP2.91
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.91
H-Bond Donors ≤ 50
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

methyl 2-[2,5-dibromo-4-(methylperoxymethyl)phenyl]acetate
CID 88955233
4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde
CID 170290856
1-bromo-3-methyl-2-(methylperoxymethyl)benzene
CID 54153864
(4-bromo-2,5-dimethylphenyl)methanol
CID 23584045
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
CID 84801554
1,5-dibromo-2-methyl-4-propylbenzene
CID 91476014
(5-bromo-2,4-dimethylphenyl)methanol;ethane
CID 176929029
2-[2-(4-bromo-2,5-dimethylphenyl)ethoxy]ethanamine
CID 65305826
(5-bromo-2-fluoro-4-methylphenyl)methyl methanesulfonate
CID 122414232
(5-bromo-2-chloro-4-methylphenyl)methyl acetate
CID 89492645
5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305614
(4-bromo-2-iodo-5-methylphenyl)methanamine
CID 171018926

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene?
The IUPAC name of 1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene (CID 21350842) is 1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene.
What is the SMILES notation for 1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene?
The canonical SMILES for 1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene is COOCc1cc(C)c(Br)cc1COOC.
What is the InChIKey of 1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene?
The InChIKey is NLBGOBFIPRPZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO4/c1-8-4-9(6-15-13-2)10(5-11(8)12)7-16-14-3/h4-5H,6-7H2,1-3H3.
What are the key properties of 1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene?
1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene has a molecular weight of 291.14 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene is sourced from PubChem (CID 21350842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).