potassium;pentane;propyl 2-hydroxybenzoate

C15H23KO3 — CID 174816717

IUPACpotassium;pentane;propyl 2-hydroxybenzoate
SMILESCCCOC(=O)c1ccccc1O.[CH2-]CCCC.[K+]
InChIInChI=1S/C10H12O3.C5H11.K/c1-2-7-13-10(12)8-5-3-4-6-9(8)11;1-3-5-4-2;/h3-6,11H,2,7H2,1H3;1,3-5H2,2H3;/q;-1;+1
InChIKeyUDSAKOHRCVJEMZ-UHFFFAOYSA-N
MW290.44 g/mol
LogP0.97
Rot. Bonds5

About potassium;pentane;propyl 2-hydroxybenzoate

potassium;pentane;propyl 2-hydroxybenzoate (PubChem CID 174816717) has the molecular formula C15H23KO3 and a molecular weight of 290.44 g/mol. Its IUPAC name is potassium;pentane;propyl 2-hydroxybenzoate.

Molecular Properties

Compound Namepotassium;pentane;propyl 2-hydroxybenzoate
PubChem CID174816717
Molecular FormulaC15H23KO3
Molecular Weight290.44 g/mol
Exact Mass290.13
IUPAC Namepotassium;pentane;propyl 2-hydroxybenzoate
SMILESCCCOC(=O)c1ccccc1O.[CH2-]CCCC.[K+]
InChIInChI=1S/C10H12O3.C5H11.K/c1-2-7-13-10(12)8-5-3-4-6-9(8)11;1-3-5-4-2;/h3-6,11H,2,7H2,1H3;1,3-5H2,2H3;/q;-1;+1
InChIKeyUDSAKOHRCVJEMZ-UHFFFAOYSA-N
XLogP0.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene;butyl 2-hydroxybenzoate;carbonic acid
CID 158989973
butyl 2-hydroxybenzoate;carbonic acid
CID 146405927
icosyl 2-hydroxybenzoate
CID 19044963
hexacosyl 2-hydroxybenzoate
CID 19044965
hexyl 2-hydroxybenzoate
CID 22629
magnesium;butyl 2-hydroxybenzoate;chromium;hydride
CID 174457991
docosyl 2-hydroxybenzoate;2-hydroxybenzoic acid
CID 67727649
sodium;hydride;octadecyl 2-hydroxybenzoate
CID 174913846
calcium;hydride;tetradecyl 2-hydroxybenzoate
CID 174852965
benzene;dibutyl benzene-1,2-dicarboxylate
CID 19818080
butyl 2-hydroxybenzoate;butyl pentanoate
CID 174922540
2-O-nonyl 1-O-propyl benzene-1,2-dicarboxylate
CID 525243

Frequently Asked Questions

What is the IUPAC name of potassium;pentane;propyl 2-hydroxybenzoate?
The IUPAC name of potassium;pentane;propyl 2-hydroxybenzoate (CID 174816717) is potassium;pentane;propyl 2-hydroxybenzoate.
What is the SMILES notation for potassium;pentane;propyl 2-hydroxybenzoate?
The canonical SMILES for potassium;pentane;propyl 2-hydroxybenzoate is CCCOC(=O)c1ccccc1O.[CH2-]CCCC.[K+].
What is the InChIKey of potassium;pentane;propyl 2-hydroxybenzoate?
The InChIKey is UDSAKOHRCVJEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.C5H11.K/c1-2-7-13-10(12)8-5-3-4-6-9(8)11;1-3-5-4-2;/h3-6,11H,2,7H2,1H3;1,3-5H2,2H3;/q;-1;+1.
What are the key properties of potassium;pentane;propyl 2-hydroxybenzoate?
potassium;pentane;propyl 2-hydroxybenzoate has a molecular weight of 290.44 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;pentane;propyl 2-hydroxybenzoate is sourced from PubChem (CID 174816717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).