potassium (E)-3-carboxytricos-12-enoate

C24H43KO4 — CID 101278039

IUPACpotassium (E)-3-carboxytricos-12-enoate
SMILESCCCCCCCCCC/C=C/CCCCCCCCC(CC(=O)[O-])C(=O)O.[K+]
InChIInChI=1S/C24H44O4.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24(27)28)21-23(25)26;/h11-12,22H,2-10,13-21H2,1H3,(H,25,26)(H,27,28);/q;+1/p-1/b12-11+;
InChIKeyFJUOMEZQKJKSMX-CALJPSDSSA-M
MW434.70 g/mol
LogP3.04
Rot. Bonds21

About potassium (E)-3-carboxytricos-12-enoate

potassium (E)-3-carboxytricos-12-enoate (PubChem CID 101278039) has the molecular formula C24H43KO4 and a molecular weight of 434.70 g/mol. Its IUPAC name is potassium (E)-3-carboxytricos-12-enoate.

Molecular Properties

Compound Namepotassium (E)-3-carboxytricos-12-enoate
PubChem CID101278039
Molecular FormulaC24H43KO4
Molecular Weight434.70 g/mol
Exact Mass434.28
IUPAC Namepotassium (E)-3-carboxytricos-12-enoate
SMILESCCCCCCCCCC/C=C/CCCCCCCCC(CC(=O)[O-])C(=O)O.[K+]
InChIInChI=1S/C24H44O4.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24(27)28)21-23(25)26;/h11-12,22H,2-10,13-21H2,1H3,(H,25,26)(H,27,28);/q;+1/p-1/b12-11+;
InChIKeyFJUOMEZQKJKSMX-CALJPSDSSA-M
XLogP3.04
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.70
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (E)-3-carboxytricos-12-enoate?
The IUPAC name of potassium (E)-3-carboxytricos-12-enoate (CID 101278039) is potassium (E)-3-carboxytricos-12-enoate.
What is the SMILES notation for potassium (E)-3-carboxytricos-12-enoate?
The canonical SMILES for potassium (E)-3-carboxytricos-12-enoate is CCCCCCCCCC/C=C/CCCCCCCCC(CC(=O)[O-])C(=O)O.[K+].
What is the InChIKey of potassium (E)-3-carboxytricos-12-enoate?
The InChIKey is FJUOMEZQKJKSMX-CALJPSDSSA-M. The full InChI is InChI=1S/C24H44O4.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24(27)28)21-23(25)26;/h11-12,22H,2-10,13-21H2,1H3,(H,25,26)(H,27,28);/q;+1/p-1/b12-11+;.
What are the key properties of potassium (E)-3-carboxytricos-12-enoate?
potassium (E)-3-carboxytricos-12-enoate has a molecular weight of 434.70 g/mol, XLogP of 3.04, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (E)-3-carboxytricos-12-enoate is sourced from PubChem (CID 101278039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).