octapotassium;octakis(decanoate)

C80H152K8O16 — CID 23617120

IUPACoctapotassium;octakis(decanoate)
SMILESCCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/8C10H20O2.8K/c8*1-2-3-4-5-6-7-8-9-10(11)12;;;;;;;;/h8*2-9H2,1H3,(H,11,12);;;;;;;;/q;;;;;;;;8*+1/p-8
InChIKeySOXWLNXRMQHLDQ-UHFFFAOYSA-F
MW1682.86 g/mol
LogP-8.95
Rot. Bonds64

About octapotassium;octakis(decanoate)

octapotassium;octakis(decanoate) (PubChem CID 23617120) has the molecular formula C80H152K8O16 and a molecular weight of 1682.86 g/mol. Its IUPAC name is octapotassium;octakis(decanoate).

Molecular Properties

Compound Nameoctapotassium;octakis(decanoate)
PubChem CID23617120
Molecular FormulaC80H152K8O16
Molecular Weight1682.86 g/mol
Exact Mass1680.82
IUPAC Nameoctapotassium;octakis(decanoate)
SMILESCCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/8C10H20O2.8K/c8*1-2-3-4-5-6-7-8-9-10(11)12;;;;;;;;/h8*2-9H2,1H3,(H,11,12);;;;;;;;/q;;;;;;;;8*+1/p-8
InChIKeySOXWLNXRMQHLDQ-UHFFFAOYSA-F
XLogP-8.95
TPSA321.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds64
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001682.86
LogP ≤ 5-8.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

potassium heptanoate
CID 23681741
potassium decanoate
CID 23688501
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
potassium heptadecanoate
CID 23668524
potassium pentadecanoate
CID 23696764
potassium;sodium;bis(tetradecanoate)
CID 158769581
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
docosanoate;platinum(4+)
CID 173129133
barium(2+);bis(icosanoate)
CID 6451429

Frequently Asked Questions

What is the IUPAC name of octapotassium;octakis(decanoate)?
The IUPAC name of octapotassium;octakis(decanoate) (CID 23617120) is octapotassium;octakis(decanoate).
What is the SMILES notation for octapotassium;octakis(decanoate)?
The canonical SMILES for octapotassium;octakis(decanoate) is CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of octapotassium;octakis(decanoate)?
The InChIKey is SOXWLNXRMQHLDQ-UHFFFAOYSA-F. The full InChI is InChI=1S/8C10H20O2.8K/c8*1-2-3-4-5-6-7-8-9-10(11)12;;;;;;;;/h8*2-9H2,1H3,(H,11,12);;;;;;;;/q;;;;;;;;8*+1/p-8.
What are the key properties of octapotassium;octakis(decanoate)?
octapotassium;octakis(decanoate) has a molecular weight of 1682.86 g/mol, XLogP of -8.95, 64 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for octapotassium;octakis(decanoate) is sourced from PubChem (CID 23617120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).