5-bromo-2-ethylpentanoyl chloride

C7H12BrClO — CID 15591710

IUPAC5-bromo-2-ethylpentanoyl chloride
SMILESCCC(CCCBr)C(=O)Cl
InChIInChI=1S/C7H12BrClO/c1-2-6(7(9)10)4-3-5-8/h6H,2-5H2,1H3
InChIKeyUISQANPFBBLTLR-UHFFFAOYSA-N
MW227.53 g/mol
LogP2.95
Rot. Bonds5

About 5-bromo-2-ethylpentanoyl chloride

5-bromo-2-ethylpentanoyl chloride (PubChem CID 15591710) has the molecular formula C7H12BrClO and a molecular weight of 227.53 g/mol. Its IUPAC name is 5-bromo-2-ethylpentanoyl chloride.

Molecular Properties

Compound Name5-bromo-2-ethylpentanoyl chloride
PubChem CID15591710
Molecular FormulaC7H12BrClO
Molecular Weight227.53 g/mol
Exact Mass225.98
IUPAC Name5-bromo-2-ethylpentanoyl chloride
SMILESCCC(CCCBr)C(=O)Cl
InChIInChI=1S/C7H12BrClO/c1-2-6(7(9)10)4-3-5-8/h6H,2-5H2,1H3
InChIKeyUISQANPFBBLTLR-UHFFFAOYSA-N
XLogP2.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.53
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2,5-dibromopentanoyl chloride
CID 11185032
2-hexylundecanoyl chloride
CID 143261788
2-butyloctanoyl chloride
CID 22341435
N-(6-bromohexyl)-2-ethylhexanamide
CID 107847533
ethane;2-ethylbutanoic acid
CID 142229949
N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide
CID 106145033
2-ethyl-6-propylheptanedioic acid
CID 154140899
5-chloro-2-ethylpentanoic acid
CID 55301111
(3S)-1-chloro-3-ethylheptan-2-one
CID 163500403
2-ethyl-5-hydroxypentanamide
CID 21402948
5-bromo-2-(2-trimethylsilylethyl)pentanoic acid
CID 90845245
tert-butyl (2S)-2-amino-5-bromopentanoate
CID 11368747

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethylpentanoyl chloride?
The IUPAC name of 5-bromo-2-ethylpentanoyl chloride (CID 15591710) is 5-bromo-2-ethylpentanoyl chloride.
What is the SMILES notation for 5-bromo-2-ethylpentanoyl chloride?
The canonical SMILES for 5-bromo-2-ethylpentanoyl chloride is CCC(CCCBr)C(=O)Cl.
What is the InChIKey of 5-bromo-2-ethylpentanoyl chloride?
The InChIKey is UISQANPFBBLTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrClO/c1-2-6(7(9)10)4-3-5-8/h6H,2-5H2,1H3.
What are the key properties of 5-bromo-2-ethylpentanoyl chloride?
5-bromo-2-ethylpentanoyl chloride has a molecular weight of 227.53 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethylpentanoyl chloride is sourced from PubChem (CID 15591710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).