2,4-dibromo-1,5-dimethoxypentan-3-one

C7H12Br2O3 — CID 151348061

IUPAC2,4-dibromo-1,5-dimethoxypentan-3-one
SMILESCOCC(Br)C(=O)C(Br)COC
InChIInChI=1S/C7H12Br2O3/c1-11-3-5(8)7(10)6(9)4-12-2/h5-6H,3-4H2,1-2H3
InChIKeyOLWXHTGIBMTZNG-UHFFFAOYSA-N
MW303.98 g/mol
LogP1.38
Rot. Bonds6

About 2,4-dibromo-1,5-dimethoxypentan-3-one

2,4-dibromo-1,5-dimethoxypentan-3-one (PubChem CID 151348061) has the molecular formula C7H12Br2O3 and a molecular weight of 303.98 g/mol. Its IUPAC name is 2,4-dibromo-1,5-dimethoxypentan-3-one.

Molecular Properties

Compound Name2,4-dibromo-1,5-dimethoxypentan-3-one
PubChem CID151348061
Molecular FormulaC7H12Br2O3
Molecular Weight303.98 g/mol
Exact Mass301.92
IUPAC Name2,4-dibromo-1,5-dimethoxypentan-3-one
SMILESCOCC(Br)C(=O)C(Br)COC
InChIInChI=1S/C7H12Br2O3/c1-11-3-5(8)7(10)6(9)4-12-2/h5-6H,3-4H2,1-2H3
InChIKeyOLWXHTGIBMTZNG-UHFFFAOYSA-N
XLogP1.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.98
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-bromo-3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 104559740
methyl 2-bromo-5-methoxypentanoate
CID 130430198
2-bromo-3-methoxy-1-(3-methylphenyl)propan-1-one
CID 161097677
methyl 2-bromo-3-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
CID 103254031
2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide
CID 65047437
3-bromo-1-methoxy-2,4-dimethylpentane
CID 79298776
7-(methoxymethyl)nonan-4-one
CID 123531318
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
methyl 3-[bis(2-methoxyethyl)amino]-2-bromopropanoate
CID 81099418
2-bromo-N-(2-methoxyethyl)-N-methylbutanamide
CID 62854357

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1,5-dimethoxypentan-3-one?
The IUPAC name of 2,4-dibromo-1,5-dimethoxypentan-3-one (CID 151348061) is 2,4-dibromo-1,5-dimethoxypentan-3-one.
What is the SMILES notation for 2,4-dibromo-1,5-dimethoxypentan-3-one?
The canonical SMILES for 2,4-dibromo-1,5-dimethoxypentan-3-one is COCC(Br)C(=O)C(Br)COC.
What is the InChIKey of 2,4-dibromo-1,5-dimethoxypentan-3-one?
The InChIKey is OLWXHTGIBMTZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Br2O3/c1-11-3-5(8)7(10)6(9)4-12-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,4-dibromo-1,5-dimethoxypentan-3-one?
2,4-dibromo-1,5-dimethoxypentan-3-one has a molecular weight of 303.98 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1,5-dimethoxypentan-3-one is sourced from PubChem (CID 151348061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).