potassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate

C19H15KO3 — CID 23666635

IUPACpotassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate
SMILESCCC(C(=O)[O-])c1ccc2c(=O)c3ccccc3ccc2c1.[K+]
InChIInChI=1S/C19H16O3.K/c1-2-15(19(21)22)13-9-10-17-14(11-13)8-7-12-5-3-4-6-16(12)18(17)20;/h3-11,15H,2H2,1H3,(H,21,22);/q;+1/p-1
InChIKeyTZOPCELMXYZRTF-UHFFFAOYSA-M
MW330.42 g/mol
LogP-0.40
Rot. Bonds3

About potassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate

potassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate (PubChem CID 23666635) has the molecular formula C19H15KO3 and a molecular weight of 330.42 g/mol. Its IUPAC name is potassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate.

Molecular Properties

Compound Namepotassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate
PubChem CID23666635
Molecular FormulaC19H15KO3
Molecular Weight330.42 g/mol
Exact Mass330.07
IUPAC Namepotassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate
SMILESCCC(C(=O)[O-])c1ccc2c(=O)c3ccccc3ccc2c1.[K+]
InChIInChI=1S/C19H16O3.K/c1-2-15(19(21)22)13-9-10-17-14(11-13)8-7-12-5-3-4-6-16(12)18(17)20;/h3-11,15H,2H2,1H3,(H,21,22);/q;+1/p-1
InChIKeyTZOPCELMXYZRTF-UHFFFAOYSA-M
XLogP-0.40
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate?
The IUPAC name of potassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate (CID 23666635) is potassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate.
What is the SMILES notation for potassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate?
The canonical SMILES for potassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate is CCC(C(=O)[O-])c1ccc2c(=O)c3ccccc3ccc2c1.[K+].
What is the InChIKey of potassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate?
The InChIKey is TZOPCELMXYZRTF-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16O3.K/c1-2-15(19(21)22)13-9-10-17-14(11-13)8-7-12-5-3-4-6-16(12)18(17)20;/h3-11,15H,2H2,1H3,(H,21,22);/q;+1/p-1.
What are the key properties of potassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate?
potassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate has a molecular weight of 330.42 g/mol, XLogP of -0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)butanoate is sourced from PubChem (CID 23666635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).