dipotassium;octadecanedioate

C18H32K2O4 — CID 141466899

IUPACdipotassium;octadecanedioate
SMILESO=C([O-])CCCCCCCCCCCCCCCCC(=O)[O-].[K+].[K+]
InChIInChI=1S/C18H34O4.2K/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22;;/h1-16H2,(H,19,20)(H,21,22);;/q;2*+1/p-2
InChIKeyPQXNUPJWSSLXPC-UHFFFAOYSA-L
MW390.65 g/mol
LogP-3.26
Rot. Bonds17

About dipotassium;octadecanedioate

dipotassium;octadecanedioate (PubChem CID 141466899) has the molecular formula C18H32K2O4 and a molecular weight of 390.65 g/mol. Its IUPAC name is dipotassium;octadecanedioate.

Molecular Properties

Compound Namedipotassium;octadecanedioate
PubChem CID141466899
Molecular FormulaC18H32K2O4
Molecular Weight390.65 g/mol
Exact Mass390.16
IUPAC Namedipotassium;octadecanedioate
SMILESO=C([O-])CCCCCCCCCCCCCCCCC(=O)[O-].[K+].[K+]
InChIInChI=1S/C18H34O4.2K/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22;;/h1-16H2,(H,19,20)(H,21,22);;/q;2*+1/p-2
InChIKeyPQXNUPJWSSLXPC-UHFFFAOYSA-L
XLogP-3.26
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.65
LogP ≤ 5-3.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tridecanedioate
CID 6994474
disodium;undecanedioate
CID 15107599
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
copper;zinc;bis(decanedioate)
CID 24880289
diazanium;decanedioate;tetrahydrate
CID 164522068
strontium hexanedioate
CID 134687758
magnesium hexanedioate
CID 24074
cadmium(2+);hexanedioate
CID 19376883

Frequently Asked Questions

What is the IUPAC name of dipotassium;octadecanedioate?
The IUPAC name of dipotassium;octadecanedioate (CID 141466899) is dipotassium;octadecanedioate.
What is the SMILES notation for dipotassium;octadecanedioate?
The canonical SMILES for dipotassium;octadecanedioate is O=C([O-])CCCCCCCCCCCCCCCCC(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;octadecanedioate?
The InChIKey is PQXNUPJWSSLXPC-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H34O4.2K/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22;;/h1-16H2,(H,19,20)(H,21,22);;/q;2*+1/p-2.
What are the key properties of dipotassium;octadecanedioate?
dipotassium;octadecanedioate has a molecular weight of 390.65 g/mol, XLogP of -3.26, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;octadecanedioate is sourced from PubChem (CID 141466899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).