potassium undec-10-enoate

C11H19KO2 — CID 23692638

IUPACpotassium undec-10-enoate
SMILESC=CCCCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C11H20O2.K/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13);/q;+1/p-1
InChIKeyDEXGNWRKHMRIRB-UHFFFAOYSA-M
MW222.37 g/mol
LogP-0.95
Rot. Bonds9

About potassium undec-10-enoate

potassium undec-10-enoate (PubChem CID 23692638) has the molecular formula C11H19KO2 and a molecular weight of 222.37 g/mol. Its IUPAC name is potassium undec-10-enoate.

Molecular Properties

Compound Namepotassium undec-10-enoate
PubChem CID23692638
Molecular FormulaC11H19KO2
Molecular Weight222.37 g/mol
Exact Mass222.10
IUPAC Namepotassium undec-10-enoate
SMILESC=CCCCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C11H20O2.K/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13);/q;+1/p-1
InChIKeyDEXGNWRKHMRIRB-UHFFFAOYSA-M
XLogP-0.95
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium undec-10-enoate?
The IUPAC name of potassium undec-10-enoate (CID 23692638) is potassium undec-10-enoate.
What is the SMILES notation for potassium undec-10-enoate?
The canonical SMILES for potassium undec-10-enoate is C=CCCCCCCCCC(=O)[O-].[K+].
What is the InChIKey of potassium undec-10-enoate?
The InChIKey is DEXGNWRKHMRIRB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20O2.K/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13);/q;+1/p-1.
What are the key properties of potassium undec-10-enoate?
potassium undec-10-enoate has a molecular weight of 222.37 g/mol, XLogP of -0.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium undec-10-enoate is sourced from PubChem (CID 23692638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).