2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one

C8H12Br2O — CID 15273685

IUPAC2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one
SMILESCC(C)CC1CC(=O)C1(Br)Br
InChIInChI=1S/C8H12Br2O/c1-5(2)3-6-4-7(11)8(6,9)10/h5-6H,3-4H2,1-2H3
InChIKeyXHGSTOLHYITYGQ-UHFFFAOYSA-N
MW283.99 g/mol
LogP3.11
Rot. Bonds2

About 2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one

2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one (PubChem CID 15273685) has the molecular formula C8H12Br2O and a molecular weight of 283.99 g/mol. Its IUPAC name is 2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one.

Molecular Properties

Compound Name2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one
PubChem CID15273685
Molecular FormulaC8H12Br2O
Molecular Weight283.99 g/mol
Exact Mass281.93
IUPAC Name2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one
SMILESCC(C)CC1CC(=O)C1(Br)Br
InChIInChI=1S/C8H12Br2O/c1-5(2)3-6-4-7(11)8(6,9)10/h5-6H,3-4H2,1-2H3
InChIKeyXHGSTOLHYITYGQ-UHFFFAOYSA-N
XLogP3.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.99
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane
CID 177136285
2,3-dibromo-2-methyl-5-propan-2-ylcyclohexan-1-one
CID 131845770
1,1-dimethyl-2-(2-methylpropyl)cyclobutane
CID 123767451
(1R,5S)-4-(methoxymethoxy)-1-(2-methylpropyl)spiro[4.4]non-3-en-9-one
CID 102082076
7-(2-methylpropyl)-4-azaspiro[2.4]heptane
CID 105429980
3,4-bis(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione
CID 157356680
4-(2-methylpropyl)cyclohexan-1-one
CID 14740079
1,1,2-trimethyl-4-(2-methylpropyl)cyclobutane
CID 59045615
3-(3-methylbutyl)cyclobutan-1-one
CID 67500687
1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclobutane
CID 157031904
2,3-dimethyl-5-(2-methylpropyl)cyclohex-2-en-1-one
CID 130318500
2-(2-methylpropyl)-4-propan-2-ylcyclopentane-1,3-dione
CID 176825471

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one?
The IUPAC name of 2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one (CID 15273685) is 2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one.
What is the SMILES notation for 2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one?
The canonical SMILES for 2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one is CC(C)CC1CC(=O)C1(Br)Br.
What is the InChIKey of 2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one?
The InChIKey is XHGSTOLHYITYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2O/c1-5(2)3-6-4-7(11)8(6,9)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one?
2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one has a molecular weight of 283.99 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-3-(2-methylpropyl)cyclobutan-1-one is sourced from PubChem (CID 15273685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).