potassium 16-methylheptadecanoate

C18H35KO2 — CID 23673612

IUPACpotassium 16-methylheptadecanoate
SMILESCC(C)CCCCCCCCCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C18H36O2.K/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;/h17H,3-16H2,1-2H3,(H,19,20);/q;+1/p-1
InChIKeyNGNZTXNWCGRXKL-UHFFFAOYSA-M
MW322.57 g/mol
LogP1.86
Rot. Bonds15

About potassium 16-methylheptadecanoate

potassium 16-methylheptadecanoate (PubChem CID 23673612) has the molecular formula C18H35KO2 and a molecular weight of 322.57 g/mol. Its IUPAC name is potassium 16-methylheptadecanoate.

Molecular Properties

Compound Namepotassium 16-methylheptadecanoate
PubChem CID23673612
Molecular FormulaC18H35KO2
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Namepotassium 16-methylheptadecanoate
SMILESCC(C)CCCCCCCCCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C18H36O2.K/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;/h17H,3-16H2,1-2H3,(H,19,20);/q;+1/p-1
InChIKeyNGNZTXNWCGRXKL-UHFFFAOYSA-M
XLogP1.86
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.57
LogP ≤ 51.86
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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Frequently Asked Questions

What is the IUPAC name of potassium 16-methylheptadecanoate?
The IUPAC name of potassium 16-methylheptadecanoate (CID 23673612) is potassium 16-methylheptadecanoate.
What is the SMILES notation for potassium 16-methylheptadecanoate?
The canonical SMILES for potassium 16-methylheptadecanoate is CC(C)CCCCCCCCCCCCCCC(=O)[O-].[K+].
What is the InChIKey of potassium 16-methylheptadecanoate?
The InChIKey is NGNZTXNWCGRXKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36O2.K/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;/h17H,3-16H2,1-2H3,(H,19,20);/q;+1/p-1.
What are the key properties of potassium 16-methylheptadecanoate?
potassium 16-methylheptadecanoate has a molecular weight of 322.57 g/mol, XLogP of 1.86, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 16-methylheptadecanoate is sourced from PubChem (CID 23673612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).