potassium 1-[8-(oxomethylamino)octoxy]butan-2-one

C13H24KNO3 — CID 156802528

IUPACpotassium 1-[8-(oxomethylamino)octoxy]butan-2-one
SMILESCCC(=O)COCCCCCCCCN[C-]=O.[K+]
InChIInChI=1S/C13H24NO3.K/c1-2-13(16)11-17-10-8-6-4-3-5-7-9-14-12-15;/h2-11H2,1H3,(H,14,15);/q-1;+1
InChIKeyDCDOZRZKNWEILW-UHFFFAOYSA-N
MW281.44 g/mol
LogP-1.02
Rot. Bonds13

About potassium 1-[8-(oxomethylamino)octoxy]butan-2-one

potassium 1-[8-(oxomethylamino)octoxy]butan-2-one (PubChem CID 156802528) has the molecular formula C13H24KNO3 and a molecular weight of 281.44 g/mol. Its IUPAC name is potassium 1-[8-(oxomethylamino)octoxy]butan-2-one.

Molecular Properties

Compound Namepotassium 1-[8-(oxomethylamino)octoxy]butan-2-one
PubChem CID156802528
Molecular FormulaC13H24KNO3
Molecular Weight281.44 g/mol
Exact Mass281.14
IUPAC Namepotassium 1-[8-(oxomethylamino)octoxy]butan-2-one
SMILESCCC(=O)COCCCCCCCCN[C-]=O.[K+]
InChIInChI=1S/C13H24NO3.K/c1-2-13(16)11-17-10-8-6-4-3-5-7-9-14-12-15;/h2-11H2,1H3,(H,14,15);/q-1;+1
InChIKeyDCDOZRZKNWEILW-UHFFFAOYSA-N
XLogP-1.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 1-[8-(oxomethylamino)octoxy]butan-2-one?
The IUPAC name of potassium 1-[8-(oxomethylamino)octoxy]butan-2-one (CID 156802528) is potassium 1-[8-(oxomethylamino)octoxy]butan-2-one.
What is the SMILES notation for potassium 1-[8-(oxomethylamino)octoxy]butan-2-one?
The canonical SMILES for potassium 1-[8-(oxomethylamino)octoxy]butan-2-one is CCC(=O)COCCCCCCCCN[C-]=O.[K+].
What is the InChIKey of potassium 1-[8-(oxomethylamino)octoxy]butan-2-one?
The InChIKey is DCDOZRZKNWEILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24NO3.K/c1-2-13(16)11-17-10-8-6-4-3-5-7-9-14-12-15;/h2-11H2,1H3,(H,14,15);/q-1;+1.
What are the key properties of potassium 1-[8-(oxomethylamino)octoxy]butan-2-one?
potassium 1-[8-(oxomethylamino)octoxy]butan-2-one has a molecular weight of 281.44 g/mol, XLogP of -1.02, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-[8-(oxomethylamino)octoxy]butan-2-one is sourced from PubChem (CID 156802528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).