6-bromohexanoyl bromide

C6H10Br2O — CID 22592124

IUPAC6-bromohexanoyl bromide
SMILESO=C(Br)CCCCCBr
InChIInChI=1S/C6H10Br2O/c7-5-3-1-2-4-6(8)9/h1-5H2
InChIKeyNOPKNBDBHMWPEF-UHFFFAOYSA-N
MW257.95 g/mol
LogP2.86
Rot. Bonds5

About 6-bromohexanoyl bromide

6-bromohexanoyl bromide (PubChem CID 22592124) has the molecular formula C6H10Br2O and a molecular weight of 257.95 g/mol. Its IUPAC name is 6-bromohexanoyl bromide.

Molecular Properties

Compound Name6-bromohexanoyl bromide
PubChem CID22592124
Molecular FormulaC6H10Br2O
Molecular Weight257.95 g/mol
Exact Mass255.91
IUPAC Name6-bromohexanoyl bromide
SMILESO=C(Br)CCCCCBr
InChIInChI=1S/C6H10Br2O/c7-5-3-1-2-4-6(8)9/h1-5H2
InChIKeyNOPKNBDBHMWPEF-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.95
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromohexanoyl bromide?
The IUPAC name of 6-bromohexanoyl bromide (CID 22592124) is 6-bromohexanoyl bromide.
What is the SMILES notation for 6-bromohexanoyl bromide?
The canonical SMILES for 6-bromohexanoyl bromide is O=C(Br)CCCCCBr.
What is the InChIKey of 6-bromohexanoyl bromide?
The InChIKey is NOPKNBDBHMWPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2O/c7-5-3-1-2-4-6(8)9/h1-5H2.
What are the key properties of 6-bromohexanoyl bromide?
6-bromohexanoyl bromide has a molecular weight of 257.95 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromohexanoyl bromide is sourced from PubChem (CID 22592124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).