potassium 4-chloropentanoate

C5H8ClKO2 — CID 162525089

IUPACpotassium 4-chloropentanoate
SMILESCC(Cl)CCC(=O)[O-].[K+]
InChIInChI=1S/C5H9ClO2.K/c1-4(6)2-3-5(7)8;/h4H,2-3H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyAGUANCDOYFNHIP-UHFFFAOYSA-M
MW174.67 g/mol
LogP-2.85
Rot. Bonds3

About potassium 4-chloropentanoate

potassium 4-chloropentanoate (PubChem CID 162525089) has the molecular formula C5H8ClKO2 and a molecular weight of 174.67 g/mol. Its IUPAC name is potassium 4-chloropentanoate.

Molecular Properties

Compound Namepotassium 4-chloropentanoate
PubChem CID162525089
Molecular FormulaC5H8ClKO2
Molecular Weight174.67 g/mol
Exact Mass173.98
IUPAC Namepotassium 4-chloropentanoate
SMILESCC(Cl)CCC(=O)[O-].[K+]
InChIInChI=1S/C5H9ClO2.K/c1-4(6)2-3-5(7)8;/h4H,2-3H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyAGUANCDOYFNHIP-UHFFFAOYSA-M
XLogP-2.85
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 5-2.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-oxohexanoic acid
CID 138753393
copper(1+);4-methylpentanoate
CID 159345928
4-bromopentanoate
CID 19430630
potassium (E)-4-chlorooct-5-enoate
CID 101279434
dipotassium;2-methylhexanedioate
CID 88781923
(4S,5R)-4-azaniumyl-5-fluorohexanoate
CID 71717308
dipotassium;butanedioate;2-hydroxypropanoic acid
CID 173292771
sodium (E)-4-chlorooct-6-enoate
CID 101279388
sodium (E)-4-chlorooct-5-enoate
CID 101279374
5-chlorohexanoic acid
CID 18541668
(5R)-5-hydroxyhexanoate
CID 7131042
5-chlorohexanoyl chloride
CID 71757929

Frequently Asked Questions

What is the IUPAC name of potassium 4-chloropentanoate?
The IUPAC name of potassium 4-chloropentanoate (CID 162525089) is potassium 4-chloropentanoate.
What is the SMILES notation for potassium 4-chloropentanoate?
The canonical SMILES for potassium 4-chloropentanoate is CC(Cl)CCC(=O)[O-].[K+].
What is the InChIKey of potassium 4-chloropentanoate?
The InChIKey is AGUANCDOYFNHIP-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9ClO2.K/c1-4(6)2-3-5(7)8;/h4H,2-3H2,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of potassium 4-chloropentanoate?
potassium 4-chloropentanoate has a molecular weight of 174.67 g/mol, XLogP of -2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-chloropentanoate is sourced from PubChem (CID 162525089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).