2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one

C9H14Br2O — CID 14141334

IUPAC2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one
SMILESCC(C)(Br)C(=O)C1(Br)CCCC1
InChIInChI=1S/C9H14Br2O/c1-8(2,10)7(12)9(11)5-3-4-6-9/h3-6H2,1-2H3
InChIKeyCYHDQNCVGZEAAS-UHFFFAOYSA-N
MW298.02 g/mol
LogP3.44
Rot. Bonds2

About 2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one

2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one (PubChem CID 14141334) has the molecular formula C9H14Br2O and a molecular weight of 298.02 g/mol. Its IUPAC name is 2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one
PubChem CID14141334
Molecular FormulaC9H14Br2O
Molecular Weight298.02 g/mol
Exact Mass295.94
IUPAC Name2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one
SMILESCC(C)(Br)C(=O)C1(Br)CCCC1
InChIInChI=1S/C9H14Br2O/c1-8(2,10)7(12)9(11)5-3-4-6-9/h3-6H2,1-2H3
InChIKeyCYHDQNCVGZEAAS-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.02
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-1-(1-bromo-cyclopentyl)-ethanone
CID 12466593
1-(1-Bromocyclopentyl)ethanone
CID 12466606
Bis(1-bromocyclopentyl)methanone
CID 13551698
2-Bromo-2-methylcyclopentan-1-one
CID 13699679
2-Bromo-1-(1-bromocyclohexyl)-2-methylpropan-1-one
CID 14141335
2-Bromo-2-cyclopentylpropanoyl bromide
CID 92009588
Methyl 1-(2-bromoisobutyryl)cyclopentane
CID 129744779
2,4-Dibromo-4-methyl-3-heptanone
CID 129776189
2-Bromo-1-(1-bromocyclopentyl)propan-1-one
CID 134877413
1,3-Dibromo-1-(1-bromocyclopentyl)propan-2-one
CID 134891152
(1-Bromocyclohexyl)-(1-bromocyclopentyl)methanone
CID 134894688
2,4-Dibromo-2-methylheptan-3-one
CID 12442405

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one?
The IUPAC name of 2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one (CID 14141334) is 2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one?
The canonical SMILES for 2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one is CC(C)(Br)C(=O)C1(Br)CCCC1.
What is the InChIKey of 2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one?
The InChIKey is CYHDQNCVGZEAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Br2O/c1-8(2,10)7(12)9(11)5-3-4-6-9/h3-6H2,1-2H3.
What are the key properties of 2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one?
2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one has a molecular weight of 298.02 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(1-bromocyclopentyl)-2-methylpropan-1-one is sourced from PubChem (CID 14141334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).