potassium;hexadecyl benzoate;hydride

C23H39KO2 — CID 174392583

IUPACpotassium;hexadecyl benzoate;hydride
SMILESCCCCCCCCCCCCCCCCOC(=O)c1ccccc1.[H-].[K+]
InChIInChI=1S/C23H38O2.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25-23(24)22-19-16-15-17-20-22;;/h15-17,19-20H,2-14,18,21H2,1H3;;/q;+1;-1
InChIKeyRXAFBEJOQISZTO-UHFFFAOYSA-N
MW386.66 g/mol
LogP4.44
Rot. Bonds16

About potassium;hexadecyl benzoate;hydride

potassium;hexadecyl benzoate;hydride (PubChem CID 174392583) has the molecular formula C23H39KO2 and a molecular weight of 386.66 g/mol. Its IUPAC name is potassium;hexadecyl benzoate;hydride.

Molecular Properties

Compound Namepotassium;hexadecyl benzoate;hydride
PubChem CID174392583
Molecular FormulaC23H39KO2
Molecular Weight386.66 g/mol
Exact Mass386.26
IUPAC Namepotassium;hexadecyl benzoate;hydride
SMILESCCCCCCCCCCCCCCCCOC(=O)c1ccccc1.[H-].[K+]
InChIInChI=1S/C23H38O2.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25-23(24)22-19-16-15-17-20-22;;/h15-17,19-20H,2-14,18,21H2,1H3;;/q;+1;-1
InChIKeyRXAFBEJOQISZTO-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.66
LogP ≤ 54.44
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

hexyl benzoate
CID 23235
butyl benzoate;hexyl benzoate
CID 22163024
CID 172820816
CID 172820816
CID 162308343
CID 162308343
methanol;pentyl benzoate
CID 175222419
(111C)butyl benzoate
CID 11994383
2-benzoyloxyethyl benzoate;dioctyl benzene-1,2-dicarboxylate
CID 70008331
butyl benzoate;dihydrochloride
CID 141031125
butyl benzoate;methane
CID 174523775
sodium;dodecyl benzoate;benzoate
CID 146467201
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
ditetradecyl benzene-1,4-dicarboxylate
CID 19868359

Frequently Asked Questions

What is the IUPAC name of potassium;hexadecyl benzoate;hydride?
The IUPAC name of potassium;hexadecyl benzoate;hydride (CID 174392583) is potassium;hexadecyl benzoate;hydride.
What is the SMILES notation for potassium;hexadecyl benzoate;hydride?
The canonical SMILES for potassium;hexadecyl benzoate;hydride is CCCCCCCCCCCCCCCCOC(=O)c1ccccc1.[H-].[K+].
What is the InChIKey of potassium;hexadecyl benzoate;hydride?
The InChIKey is RXAFBEJOQISZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O2.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25-23(24)22-19-16-15-17-20-22;;/h15-17,19-20H,2-14,18,21H2,1H3;;/q;+1;-1.
What are the key properties of potassium;hexadecyl benzoate;hydride?
potassium;hexadecyl benzoate;hydride has a molecular weight of 386.66 g/mol, XLogP of 4.44, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hexadecyl benzoate;hydride is sourced from PubChem (CID 174392583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).