potassium 5-oxo-5-tetradecanoyloxypentanoate

C19H33KO5 — CID 158283143

IUPACpotassium 5-oxo-5-tetradecanoyloxypentanoate
SMILESCCCCCCCCCCCCCC(=O)OC(=O)CCCC(=O)[O-].[K+]
InChIInChI=1S/C19H34O5.K/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(22)24-19(23)16-13-14-17(20)21;/h2-16H2,1H3,(H,20,21);/q;+1/p-1
InChIKeyFUAHMNFBZJXDMD-UHFFFAOYSA-M
MW380.57 g/mol
LogP0.68
Rot. Bonds16

About potassium 5-oxo-5-tetradecanoyloxypentanoate

potassium 5-oxo-5-tetradecanoyloxypentanoate (PubChem CID 158283143) has the molecular formula C19H33KO5 and a molecular weight of 380.57 g/mol. Its IUPAC name is potassium 5-oxo-5-tetradecanoyloxypentanoate.

Molecular Properties

Compound Namepotassium 5-oxo-5-tetradecanoyloxypentanoate
PubChem CID158283143
Molecular FormulaC19H33KO5
Molecular Weight380.57 g/mol
Exact Mass380.20
IUPAC Namepotassium 5-oxo-5-tetradecanoyloxypentanoate
SMILESCCCCCCCCCCCCCC(=O)OC(=O)CCCC(=O)[O-].[K+]
InChIInChI=1S/C19H34O5.K/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(22)24-19(23)16-13-14-17(20)21;/h2-16H2,1H3,(H,20,21);/q;+1/p-1
InChIKeyFUAHMNFBZJXDMD-UHFFFAOYSA-M
XLogP0.68
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.57
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

disodium;butanedioate;dodecanoyl dodecanoate
CID 161238942
pentadecanoyl hexadecanoate
CID 87499774
potassium decanoate
CID 23688501
ditetradecanoyl hexanedioate
CID 175560209
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
potassium heptanoate
CID 23681741
henicosanoyl docosanoate
CID 175302110
potassium heptadecanoate
CID 23668524
potassium pentadecanoate
CID 23696764
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
octapotassium;octakis(decanoate)
CID 23617120

Frequently Asked Questions

What is the IUPAC name of potassium 5-oxo-5-tetradecanoyloxypentanoate?
The IUPAC name of potassium 5-oxo-5-tetradecanoyloxypentanoate (CID 158283143) is potassium 5-oxo-5-tetradecanoyloxypentanoate.
What is the SMILES notation for potassium 5-oxo-5-tetradecanoyloxypentanoate?
The canonical SMILES for potassium 5-oxo-5-tetradecanoyloxypentanoate is CCCCCCCCCCCCCC(=O)OC(=O)CCCC(=O)[O-].[K+].
What is the InChIKey of potassium 5-oxo-5-tetradecanoyloxypentanoate?
The InChIKey is FUAHMNFBZJXDMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H34O5.K/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(22)24-19(23)16-13-14-17(20)21;/h2-16H2,1H3,(H,20,21);/q;+1/p-1.
What are the key properties of potassium 5-oxo-5-tetradecanoyloxypentanoate?
potassium 5-oxo-5-tetradecanoyloxypentanoate has a molecular weight of 380.57 g/mol, XLogP of 0.68, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-oxo-5-tetradecanoyloxypentanoate is sourced from PubChem (CID 158283143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).