1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene

C14H19Br3 — CID 82988110

IUPAC1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene
SMILESCCCC(CCC)C(Br)c1cc(Br)ccc1Br
InChIInChI=1S/C14H19Br3/c1-3-5-10(6-4-2)14(17)12-9-11(15)7-8-13(12)16/h7-10,14H,3-6H2,1-2H3
InChIKeyXKQPWXGPEBJUED-UHFFFAOYSA-N
MW427.02 g/mol
LogP6.86
Rot. Bonds6

About 1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene

1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene (PubChem CID 82988110) has the molecular formula C14H19Br3 and a molecular weight of 427.02 g/mol. Its IUPAC name is 1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene.

Molecular Properties

Compound Name1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene
PubChem CID82988110
Molecular FormulaC14H19Br3
Molecular Weight427.02 g/mol
Exact Mass423.90
IUPAC Name1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene
SMILESCCCC(CCC)C(Br)c1cc(Br)ccc1Br
InChIInChI=1S/C14H19Br3/c1-3-5-10(6-4-2)14(17)12-9-11(15)7-8-13(12)16/h7-10,14H,3-6H2,1-2H3
InChIKeyXKQPWXGPEBJUED-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.02
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dibromophenyl)-2-propylpentan-1-amine
CID 82984674
1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine
CID 43482220
1-(2,5-dibromophenyl)pentylhydrazine
CID 105293801
2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol
CID 107955052
1,4-dibromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]benzene
CID 66476769
3-(1-bromo-2-propylpentyl)-2,5-dichlorothiophene
CID 82987916
3-bromo-2-(1-bromo-2-propylpentyl)-5-methylthiophene
CID 82987176
1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene
CID 63437775
(2,5-dibromophenyl)-(4-propylphenyl)methanol
CID 114374739
2-(aminomethyl)-1-(5-bromo-2-methoxyphenyl)pentan-1-ol
CID 79415351
1-(2,5-dibromophenyl)-3-methylbutan-1-ol
CID 61100587
(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
CID 131090689

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene?
The IUPAC name of 1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene (CID 82988110) is 1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene.
What is the SMILES notation for 1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene?
The canonical SMILES for 1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene is CCCC(CCC)C(Br)c1cc(Br)ccc1Br.
What is the InChIKey of 1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene?
The InChIKey is XKQPWXGPEBJUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br3/c1-3-5-10(6-4-2)14(17)12-9-11(15)7-8-13(12)16/h7-10,14H,3-6H2,1-2H3.
What are the key properties of 1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene?
1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene has a molecular weight of 427.02 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene is sourced from PubChem (CID 82988110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).