potassium 15-phenylpentadecanoate

C21H33KO2 — CID 23717018

IUPACpotassium 15-phenylpentadecanoate
SMILESO=C([O-])CCCCCCCCCCCCCCc1ccccc1.[K+]
InChIInChI=1S/C21H34O2.K/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20;/h11,13-14,17-18H,1-10,12,15-16,19H2,(H,22,23);/q;+1/p-1
InChIKeyAEZGWOKIPQJJLM-UHFFFAOYSA-M
MW356.59 g/mol
LogP2.05
Rot. Bonds15

About potassium 15-phenylpentadecanoate

potassium 15-phenylpentadecanoate (PubChem CID 23717018) has the molecular formula C21H33KO2 and a molecular weight of 356.59 g/mol. Its IUPAC name is potassium 15-phenylpentadecanoate.

Molecular Properties

Compound Namepotassium 15-phenylpentadecanoate
PubChem CID23717018
Molecular FormulaC21H33KO2
Molecular Weight356.59 g/mol
Exact Mass356.21
IUPAC Namepotassium 15-phenylpentadecanoate
SMILESO=C([O-])CCCCCCCCCCCCCCc1ccccc1.[K+]
InChIInChI=1S/C21H34O2.K/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20;/h11,13-14,17-18H,1-10,12,15-16,19H2,(H,22,23);/q;+1/p-1
InChIKeyAEZGWOKIPQJJLM-UHFFFAOYSA-M
XLogP2.05
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.59
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium 4-phenylbutanoate
CID 50923149
calcium bis(4-phenylbutanoate)
CID 11187721
15-phenylpentadecanoic acid
CID 2737151
disodium;dodecylbenzene;hydrogen sulfate;octadecanoate
CID 67779751
potassium 17-phenylheptadecaneselenoate
CID 141480285
potassium 8-phenyloctaneselenoate
CID 141480301
1,9-diphenylnonan-5-one
CID 23467830
sodium 15-(4-hydroxyphenyl)pentadecanoate
CID 23710314
sodium 9-(4-hydroxyphenyl)nonanoate
CID 23710359
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium 8-phenyloctaneselenoate
CID 141480312
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736

Frequently Asked Questions

What is the IUPAC name of potassium 15-phenylpentadecanoate?
The IUPAC name of potassium 15-phenylpentadecanoate (CID 23717018) is potassium 15-phenylpentadecanoate.
What is the SMILES notation for potassium 15-phenylpentadecanoate?
The canonical SMILES for potassium 15-phenylpentadecanoate is O=C([O-])CCCCCCCCCCCCCCc1ccccc1.[K+].
What is the InChIKey of potassium 15-phenylpentadecanoate?
The InChIKey is AEZGWOKIPQJJLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H34O2.K/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20;/h11,13-14,17-18H,1-10,12,15-16,19H2,(H,22,23);/q;+1/p-1.
What are the key properties of potassium 15-phenylpentadecanoate?
potassium 15-phenylpentadecanoate has a molecular weight of 356.59 g/mol, XLogP of 2.05, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 15-phenylpentadecanoate is sourced from PubChem (CID 23717018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).