potassium 16-methyloctadecanoate

C19H37KO2 — CID 23706023

IUPACpotassium 16-methyloctadecanoate
SMILESCCC(C)CCCCCCCCCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C19H38O2.K/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21;/h18H,3-17H2,1-2H3,(H,20,21);/q;+1/p-1
InChIKeyIUDTVDQRLLNFNS-UHFFFAOYSA-M
MW336.60 g/mol
LogP2.25
Rot. Bonds16

About potassium 16-methyloctadecanoate

potassium 16-methyloctadecanoate (PubChem CID 23706023) has the molecular formula C19H37KO2 and a molecular weight of 336.60 g/mol. Its IUPAC name is potassium 16-methyloctadecanoate.

Molecular Properties

Compound Namepotassium 16-methyloctadecanoate
PubChem CID23706023
Molecular FormulaC19H37KO2
Molecular Weight336.60 g/mol
Exact Mass336.24
IUPAC Namepotassium 16-methyloctadecanoate
SMILESCCC(C)CCCCCCCCCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C19H38O2.K/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21;/h18H,3-17H2,1-2H3,(H,20,21);/q;+1/p-1
InChIKeyIUDTVDQRLLNFNS-UHFFFAOYSA-M
XLogP2.25
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.60
LogP ≤ 52.25
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

(18R)-18-methylicosanoic acid
CID 71587706
mercury(1+);6-methylheptanoate
CID 175025687
tetrakis(7-methyloctanoate);zirconium(4+)
CID 57346765
sodium 13-methyltetradecanoate
CID 44515571
7-hydroxyoctanoate
CID 20848985
calcium bis(16-methylheptadecanoate)
CID 6453880
8-methyldecanoyl 8-methyldecanoate
CID 175714678
dipotassium;octadecanedioate
CID 141466899
antimony(3+);decanoate;bis(6-methylheptanoate)
CID 20517200
methyl (18R)-18-methylicosanoate
CID 102237844
methyl 23-methylpentacosanoate
CID 15047975
methyl 11-methyltridecanoate
CID 14122942

Frequently Asked Questions

What is the IUPAC name of potassium 16-methyloctadecanoate?
The IUPAC name of potassium 16-methyloctadecanoate (CID 23706023) is potassium 16-methyloctadecanoate.
What is the SMILES notation for potassium 16-methyloctadecanoate?
The canonical SMILES for potassium 16-methyloctadecanoate is CCC(C)CCCCCCCCCCCCCCC(=O)[O-].[K+].
What is the InChIKey of potassium 16-methyloctadecanoate?
The InChIKey is IUDTVDQRLLNFNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H38O2.K/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21;/h18H,3-17H2,1-2H3,(H,20,21);/q;+1/p-1.
What are the key properties of potassium 16-methyloctadecanoate?
potassium 16-methyloctadecanoate has a molecular weight of 336.60 g/mol, XLogP of 2.25, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 16-methyloctadecanoate is sourced from PubChem (CID 23706023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).