2-bromohexanedioyl dibromide

C6H7Br3O2 — CID 19839142

IUPAC2-bromohexanedioyl dibromide
SMILESO=C(Br)CCCC(Br)C(=O)Br
InChIInChI=1S/C6H7Br3O2/c7-4(6(9)11)2-1-3-5(8)10/h4H,1-3H2
InChIKeyWQRVZIPFAZGJFD-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.76
Rot. Bonds5

About 2-bromohexanedioyl dibromide

2-bromohexanedioyl dibromide (PubChem CID 19839142) has the molecular formula C6H7Br3O2 and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-bromohexanedioyl dibromide.

Molecular Properties

Compound Name2-bromohexanedioyl dibromide
PubChem CID19839142
Molecular FormulaC6H7Br3O2
Molecular Weight350.83 g/mol
Exact Mass347.80
IUPAC Name2-bromohexanedioyl dibromide
SMILESO=C(Br)CCCC(Br)C(=O)Br
InChIInChI=1S/C6H7Br3O2/c7-4(6(9)11)2-1-3-5(8)10/h4H,1-3H2
InChIKeyWQRVZIPFAZGJFD-UHFFFAOYSA-N
XLogP2.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Bromohexanoyl bromide
CID 3016923
Brom-caproylbromid
CID 22592124
3-Bromohexanoyl bromide
CID 73948211
2,5-dibromopentanoyl Bromide
CID 11163082
2,6-Dibromohexanoyl bromide
CID 15027913
Hexanedioyl dibromide
CID 21584885
5-Bromohexanoyl bromide
CID 88358036
6,6-Dibromohexanoyl bromide
CID 174416047
2,4-Dibromopentanoyl bromide
CID 21854705
(2R)-2-bromohexanoyl bromide
CID 92174054
(2S)-2-bromohexanoyl bromide
CID 92221538
(2S)-2,5-dibromopentanoyl bromide
CID 129383629

Frequently Asked Questions

What is the IUPAC name of 2-bromohexanedioyl dibromide?
The IUPAC name of 2-bromohexanedioyl dibromide (CID 19839142) is 2-bromohexanedioyl dibromide.
What is the SMILES notation for 2-bromohexanedioyl dibromide?
The canonical SMILES for 2-bromohexanedioyl dibromide is O=C(Br)CCCC(Br)C(=O)Br.
What is the InChIKey of 2-bromohexanedioyl dibromide?
The InChIKey is WQRVZIPFAZGJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br3O2/c7-4(6(9)11)2-1-3-5(8)10/h4H,1-3H2.
What are the key properties of 2-bromohexanedioyl dibromide?
2-bromohexanedioyl dibromide has a molecular weight of 350.83 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromohexanedioyl dibromide is sourced from PubChem (CID 19839142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).