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

C11H18Br2O2 — CID 16753963

IUPAC2-(2,3-dibromopentyl)-3-(hydroxymethyl)cyclopentan-1-one
SMILESCCC(Br)C(Br)CC1C(=O)CCC1CO
InChIInChI=1S/C11H18Br2O2/c1-2-9(12)10(13)5-8-7(6-14)3-4-11(8)15/h7-10,14H,2-6H2,1H3
InChIKeyIKRAIXHCOYPBGR-UHFFFAOYSA-N
MW342.07 g/mol
LogP2.90
Rot. Bonds5

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

2-(2,3-dibromopentyl)-3-(hydroxymethyl)cyclopentan-1-one (PubChem CID 16753963) has the molecular formula C11H18Br2O2 and a molecular weight of 342.07 g/mol. Its IUPAC name is 2-(2,3-dibromopentyl)-3-(hydroxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2,3-dibromopentyl)-3-(hydroxymethyl)cyclopentan-1-one
PubChem CID16753963
Molecular FormulaC11H18Br2O2
Molecular Weight342.07 g/mol
Exact Mass339.97
IUPAC Name2-(2,3-dibromopentyl)-3-(hydroxymethyl)cyclopentan-1-one
SMILESCCC(Br)C(Br)CC1C(=O)CCC1CO
InChIInChI=1S/C11H18Br2O2/c1-2-9(12)10(13)5-8-7(6-14)3-4-11(8)15/h7-10,14H,2-6H2,1H3
InChIKeyIKRAIXHCOYPBGR-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.07
LogP ≤ 52.90
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-(hydroxymethyl)cyclopentan-1-one?
The IUPAC name of 2-(2,3-dibromopentyl)-3-(hydroxymethyl)cyclopentan-1-one (CID 16753963) is 2-(2,3-dibromopentyl)-3-(hydroxymethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(2,3-dibromopentyl)-3-(hydroxymethyl)cyclopentan-1-one?
The canonical SMILES for 2-(2,3-dibromopentyl)-3-(hydroxymethyl)cyclopentan-1-one is CCC(Br)C(Br)CC1C(=O)CCC1CO.
What is the InChIKey of 2-(2,3-dibromopentyl)-3-(hydroxymethyl)cyclopentan-1-one?
The InChIKey is IKRAIXHCOYPBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Br2O2/c1-2-9(12)10(13)5-8-7(6-14)3-4-11(8)15/h7-10,14H,2-6H2,1H3.
What are the key properties of 2-(2,3-dibromopentyl)-3-(hydroxymethyl)cyclopentan-1-one?
2-(2,3-dibromopentyl)-3-(hydroxymethyl)cyclopentan-1-one has a molecular weight of 342.07 g/mol, XLogP of 2.90, 5 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-(hydroxymethyl)cyclopentan-1-one is sourced from PubChem (CID 16753963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).