5,5-dibromopentanoic acid

C5H8Br2O2 — CID 54289064

IUPAC5,5-dibromopentanoic acid
SMILESO=C(O)CCCC(Br)Br
InChIInChI=1S/C5H8Br2O2/c6-4(7)2-1-3-5(8)9/h4H,1-3H2,(H,8,9)
InChIKeyRWFOAYJZLRNVLK-UHFFFAOYSA-N
MW259.92 g/mol
LogP2.36
Rot. Bonds4

About 5,5-dibromopentanoic acid

5,5-dibromopentanoic acid (PubChem CID 54289064) has the molecular formula C5H8Br2O2 and a molecular weight of 259.92 g/mol. Its IUPAC name is 5,5-dibromopentanoic acid.

Molecular Properties

Compound Name5,5-dibromopentanoic acid
PubChem CID54289064
Molecular FormulaC5H8Br2O2
Molecular Weight259.92 g/mol
Exact Mass257.89
IUPAC Name5,5-dibromopentanoic acid
SMILESO=C(O)CCCC(Br)Br
InChIInChI=1S/C5H8Br2O2/c6-4(7)2-1-3-5(8)9/h4H,1-3H2,(H,8,9)
InChIKeyRWFOAYJZLRNVLK-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.92
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,6-dibromohexanoic acid
CID 87666257
2-isocyanohexanedioic acid
CID 70674090
5,5-dihydroxypentanoic acid
CID 57194054
5-bromo-5-phenylpentanoic acid
CID 174858341
6-bromoheptanoic acid
CID 18767531
2-(bromomethyl)hexanedioic acid
CID 18533041
15-bromohexadecanoic acid
CID 22242436
5-chlorohexanoic acid
CID 18541668
(3S)-3-hydroxyheptanedioic acid
CID 87737490
5-hydroxytridecanedioic acid
CID 139805426
5,6-dihydroxyhexanoic acid
CID 15140307
(5S)-5,6-dihydroxyhexanoic acid
CID 88918822

Frequently Asked Questions

What is the IUPAC name of 5,5-dibromopentanoic acid?
The IUPAC name of 5,5-dibromopentanoic acid (CID 54289064) is 5,5-dibromopentanoic acid.
What is the SMILES notation for 5,5-dibromopentanoic acid?
The canonical SMILES for 5,5-dibromopentanoic acid is O=C(O)CCCC(Br)Br.
What is the InChIKey of 5,5-dibromopentanoic acid?
The InChIKey is RWFOAYJZLRNVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br2O2/c6-4(7)2-1-3-5(8)9/h4H,1-3H2,(H,8,9).
What are the key properties of 5,5-dibromopentanoic acid?
5,5-dibromopentanoic acid has a molecular weight of 259.92 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibromopentanoic acid is sourced from PubChem (CID 54289064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).