2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene

C16H24Br2 — CID 79452952

IUPAC2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CC(CBr)(CBr)CC(C)C)c1
InChIInChI=1S/C16H24Br2/c1-12(2)8-16(10-17,11-18)9-15-7-13(3)5-6-14(15)4/h5-7,12H,8-11H2,1-4H3
InChIKeyUHHIXQHTHVHSQZ-UHFFFAOYSA-N
MW376.18 g/mol
LogP5.67
Rot. Bonds6

About 2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene

2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene (PubChem CID 79452952) has the molecular formula C16H24Br2 and a molecular weight of 376.18 g/mol. Its IUPAC name is 2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene
PubChem CID79452952
Molecular FormulaC16H24Br2
Molecular Weight376.18 g/mol
Exact Mass374.02
IUPAC Name2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CC(CBr)(CBr)CC(C)C)c1
InChIInChI=1S/C16H24Br2/c1-12(2)8-16(10-17,11-18)9-15-7-13(3)5-6-14(15)4/h5-7,12H,8-11H2,1-4H3
InChIKeyUHHIXQHTHVHSQZ-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.18
LogP ≤ 55.67
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

2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dimethylbenzene
CID 79455964
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63507772
4,4-bis(bromomethyl)-2,6-dimethylheptane
CID 79453294
4-[(2,5-dimethylphenyl)methyl]heptan-4-ol
CID 114865735
4-[2,2-bis(bromomethyl)-4-methylpentyl]-2-bromo-1-fluorobenzene
CID 79453796
2-[2,2-bis(bromomethyl)-3-methylbutyl]-4-fluoro-1-methylbenzene
CID 105376136
4-bromo-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 83187879
1-(2,5-dimethylphenyl)-2-(4-methylphenyl)propan-2-amine
CID 61482079
1-(2,5-dimethylphenyl)-4-methylpentan-2-one
CID 61481922
1-(2,5-dimethylphenyl)-4-methylpentan-2-amine
CID 61482046
N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117043979

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene (CID 79452952) is 2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene is Cc1ccc(C)c(CC(CBr)(CBr)CC(C)C)c1.
What is the InChIKey of 2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene?
The InChIKey is UHHIXQHTHVHSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2/c1-12(2)8-16(10-17,11-18)9-15-7-13(3)5-6-14(15)4/h5-7,12H,8-11H2,1-4H3.
What are the key properties of 2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene?
2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene has a molecular weight of 376.18 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene is sourced from PubChem (CID 79452952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).