2-(2,3-dibromopentyl)-3-(2-hydroxyethyl)cyclopentan-1-one

C12H20Br2O2 — CID 42602869

IUPAC2-(2,3-dibromopentyl)-3-(2-hydroxyethyl)cyclopentan-1-one
SMILESCCC(Br)C(Br)CC1C(=O)CCC1CCO
InChIInChI=1S/C12H20Br2O2/c1-2-10(13)11(14)7-9-8(5-6-15)3-4-12(9)16/h8-11,15H,2-7H2,1H3
InChIKeyXFLUMBQDLHOCQU-UHFFFAOYSA-N
MW356.10 g/mol
LogP3.29
Rot. Bonds6

About 2-(2,3-dibromopentyl)-3-(2-hydroxyethyl)cyclopentan-1-one

2-(2,3-dibromopentyl)-3-(2-hydroxyethyl)cyclopentan-1-one (PubChem CID 42602869) has the molecular formula C12H20Br2O2 and a molecular weight of 356.10 g/mol. Its IUPAC name is 2-(2,3-dibromopentyl)-3-(2-hydroxyethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2,3-dibromopentyl)-3-(2-hydroxyethyl)cyclopentan-1-one
PubChem CID42602869
Molecular FormulaC12H20Br2O2
Molecular Weight356.10 g/mol
Exact Mass353.98
IUPAC Name2-(2,3-dibromopentyl)-3-(2-hydroxyethyl)cyclopentan-1-one
SMILESCCC(Br)C(Br)CC1C(=O)CCC1CCO
InChIInChI=1S/C12H20Br2O2/c1-2-10(13)11(14)7-9-8(5-6-15)3-4-12(9)16/h8-11,15H,2-7H2,1H3
InChIKeyXFLUMBQDLHOCQU-UHFFFAOYSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.10
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dibromopentyl)-3-(2-hydroxyethyl)cyclopentan-1-one?
The IUPAC name of 2-(2,3-dibromopentyl)-3-(2-hydroxyethyl)cyclopentan-1-one (CID 42602869) is 2-(2,3-dibromopentyl)-3-(2-hydroxyethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(2,3-dibromopentyl)-3-(2-hydroxyethyl)cyclopentan-1-one?
The canonical SMILES for 2-(2,3-dibromopentyl)-3-(2-hydroxyethyl)cyclopentan-1-one is CCC(Br)C(Br)CC1C(=O)CCC1CCO.
What is the InChIKey of 2-(2,3-dibromopentyl)-3-(2-hydroxyethyl)cyclopentan-1-one?
The InChIKey is XFLUMBQDLHOCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Br2O2/c1-2-10(13)11(14)7-9-8(5-6-15)3-4-12(9)16/h8-11,15H,2-7H2,1H3.
What are the key properties of 2-(2,3-dibromopentyl)-3-(2-hydroxyethyl)cyclopentan-1-one?
2-(2,3-dibromopentyl)-3-(2-hydroxyethyl)cyclopentan-1-one has a molecular weight of 356.10 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dibromopentyl)-3-(2-hydroxyethyl)cyclopentan-1-one is sourced from PubChem (CID 42602869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).