2-ethylbutanedioyl dibromide

C6H8Br2O2 — CID 21416014

IUPAC2-ethylbutanedioyl dibromide
SMILESCCC(CC(=O)Br)C(=O)Br
InChIInChI=1S/C6H8Br2O2/c1-2-4(6(8)10)3-5(7)9/h4H,2-3H2,1H3
InChIKeyIHRJXBGFXBQOTC-UHFFFAOYSA-N
MW271.94 g/mol
LogP2.25
Rot. Bonds4

About 2-ethylbutanedioyl dibromide

2-ethylbutanedioyl dibromide (PubChem CID 21416014) has the molecular formula C6H8Br2O2 and a molecular weight of 271.94 g/mol. Its IUPAC name is 2-ethylbutanedioyl dibromide.

Molecular Properties

Compound Name2-ethylbutanedioyl dibromide
PubChem CID21416014
Molecular FormulaC6H8Br2O2
Molecular Weight271.94 g/mol
Exact Mass269.89
IUPAC Name2-ethylbutanedioyl dibromide
SMILESCCC(CC(=O)Br)C(=O)Br
InChIInChI=1S/C6H8Br2O2/c1-2-4(6(8)10)3-5(7)9/h4H,2-3H2,1H3
InChIKeyIHRJXBGFXBQOTC-UHFFFAOYSA-N
XLogP2.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.94
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis(bromomethyl)heptan-4-one
CID 88762991
(2S)-2-ethylbutanedioic acid
CID 6997245
ethane;2-ethylbutanoic acid
CID 142229949
CID 123134376
CID 123134376
CID 87086045
CID 87086045
lithium 2-ethylbutanoate
CID 23681528
tris(2-ethylbutanoate);niobium(3+)
CID 173096666
3-ethyl-2-oxopentanamide
CID 21120726
magnesium;bis(2-ethylbutanoic acid);hydride
CID 174895693
dipotassium;2-ethylbutanedioate
CID 172823194
2-ethyl-4-oxohexanoic acid
CID 71436970
4-ethyl-2,2-dimethylhexan-3-one
CID 15584308

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutanedioyl dibromide?
The IUPAC name of 2-ethylbutanedioyl dibromide (CID 21416014) is 2-ethylbutanedioyl dibromide.
What is the SMILES notation for 2-ethylbutanedioyl dibromide?
The canonical SMILES for 2-ethylbutanedioyl dibromide is CCC(CC(=O)Br)C(=O)Br.
What is the InChIKey of 2-ethylbutanedioyl dibromide?
The InChIKey is IHRJXBGFXBQOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br2O2/c1-2-4(6(8)10)3-5(7)9/h4H,2-3H2,1H3.
What are the key properties of 2-ethylbutanedioyl dibromide?
2-ethylbutanedioyl dibromide has a molecular weight of 271.94 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutanedioyl dibromide is sourced from PubChem (CID 21416014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).