ethyl (2R)-2,5-dibromopentanoate

C7H12Br2O2 — CID 98051251

IUPACethyl (2R)-2,5-dibromopentanoate
SMILESCCOC(=O)[C@H](Br)CCCBr
InChIInChI=1S/C7H12Br2O2/c1-2-11-7(10)6(9)4-3-5-8/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyIMJLPXIWIIDKHO-ZCFIWIBFSA-N
MW287.98 g/mol
LogP2.49
Rot. Bonds5

About ethyl (2R)-2,5-dibromopentanoate

ethyl (2R)-2,5-dibromopentanoate (PubChem CID 98051251) has the molecular formula C7H12Br2O2 and a molecular weight of 287.98 g/mol. Its IUPAC name is ethyl (2R)-2,5-dibromopentanoate.

Molecular Properties

Compound Nameethyl (2R)-2,5-dibromopentanoate
PubChem CID98051251
Molecular FormulaC7H12Br2O2
Molecular Weight287.98 g/mol
Exact Mass285.92
IUPAC Nameethyl (2R)-2,5-dibromopentanoate
SMILESCCOC(=O)[C@H](Br)CCCBr
InChIInChI=1S/C7H12Br2O2/c1-2-11-7(10)6(9)4-3-5-8/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyIMJLPXIWIIDKHO-ZCFIWIBFSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.98
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2,5-dibromopentanoate?
The IUPAC name of ethyl (2R)-2,5-dibromopentanoate (CID 98051251) is ethyl (2R)-2,5-dibromopentanoate.
What is the SMILES notation for ethyl (2R)-2,5-dibromopentanoate?
The canonical SMILES for ethyl (2R)-2,5-dibromopentanoate is CCOC(=O)[C@H](Br)CCCBr.
What is the InChIKey of ethyl (2R)-2,5-dibromopentanoate?
The InChIKey is IMJLPXIWIIDKHO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12Br2O2/c1-2-11-7(10)6(9)4-3-5-8/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of ethyl (2R)-2,5-dibromopentanoate?
ethyl (2R)-2,5-dibromopentanoate has a molecular weight of 287.98 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2,5-dibromopentanoate is sourced from PubChem (CID 98051251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).