potassium 2-carboxy-6-tetradecylphenolate

C21H33KO3 — CID 101311336

IUPACpotassium 2-carboxy-6-tetradecylphenolate
SMILESCCCCCCCCCCCCCCc1cccc(C(=O)O)c1[O-].[K+]
InChIInChI=1S/C21H34O3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19(20(18)22)21(23)24;/h14,16-17,22H,2-13,15H2,1H3,(H,23,24);/q;+1/p-1
InChIKeyPVFWTEOCDUDBHX-UHFFFAOYSA-M
MW372.59 g/mol
LogP2.71
Rot. Bonds14

About potassium 2-carboxy-6-tetradecylphenolate

potassium 2-carboxy-6-tetradecylphenolate (PubChem CID 101311336) has the molecular formula C21H33KO3 and a molecular weight of 372.59 g/mol. Its IUPAC name is potassium 2-carboxy-6-tetradecylphenolate.

Molecular Properties

Compound Namepotassium 2-carboxy-6-tetradecylphenolate
PubChem CID101311336
Molecular FormulaC21H33KO3
Molecular Weight372.59 g/mol
Exact Mass372.21
IUPAC Namepotassium 2-carboxy-6-tetradecylphenolate
SMILESCCCCCCCCCCCCCCc1cccc(C(=O)O)c1[O-].[K+]
InChIInChI=1S/C21H34O3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19(20(18)22)21(23)24;/h14,16-17,22H,2-13,15H2,1H3,(H,23,24);/q;+1/p-1
InChIKeyPVFWTEOCDUDBHX-UHFFFAOYSA-M
XLogP2.71
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.59
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

calcium 2-carboxy-6-hexadecylphenolate
CID 54724017
calcium;2-hydroxy-3-nonylbenzoic acid;3-nonyl-2-oxidobenzoate
CID 101311166
3-dodecylphthalic acid
CID 19855185
3-tetradecylphthalic acid
CID 22912670
3-heptyl-2-hydroxybenzoic acid
CID 67845198
2-amino-3-decylbenzoic acid
CID 118902812
zinc bis(2-carboxy-6-(8-methylnonyl)phenolate)
CID 67892573
azane;2-octylbenzoic acid
CID 70171834
CID 159889030
CID 159889030
magnesium;2-hexylbenzoic acid;hydride
CID 173426888
3-hexyl-2-methoxybenzoic acid
CID 90189065
sodium 3-carboxy-2-heptylphenolate
CID 101311071

Frequently Asked Questions

What is the IUPAC name of potassium 2-carboxy-6-tetradecylphenolate?
The IUPAC name of potassium 2-carboxy-6-tetradecylphenolate (CID 101311336) is potassium 2-carboxy-6-tetradecylphenolate.
What is the SMILES notation for potassium 2-carboxy-6-tetradecylphenolate?
The canonical SMILES for potassium 2-carboxy-6-tetradecylphenolate is CCCCCCCCCCCCCCc1cccc(C(=O)O)c1[O-].[K+].
What is the InChIKey of potassium 2-carboxy-6-tetradecylphenolate?
The InChIKey is PVFWTEOCDUDBHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H34O3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19(20(18)22)21(23)24;/h14,16-17,22H,2-13,15H2,1H3,(H,23,24);/q;+1/p-1.
What are the key properties of potassium 2-carboxy-6-tetradecylphenolate?
potassium 2-carboxy-6-tetradecylphenolate has a molecular weight of 372.59 g/mol, XLogP of 2.71, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-carboxy-6-tetradecylphenolate is sourced from PubChem (CID 101311336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).