Methyl tetracosanoate

PubChem CID: 75546

Connections displayed (default: 10).

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Compound Synonyms	Methyl tetracosanoate, 2442-49-1, Lignoceric acid methyl ester, Methyl lignocerate, Tetracosanoic acid, methyl ester, Methyl tetracosanoic acid, HY5564B8FX, MFCD00009351, Tetracosanoic acid-methyl ester, Tetracosanoic Acid Methyl Ester, lignoceric methyl ester, UNII-HY5564B8FX, LIGNOCERICACIDMETHYLESTER, EINECS 219-475-2, C24 FAME, SCHEMBL863540, Methyl tetracosanoate (Standard), HY-N8438R, DTXSID50179174, CHEBI:143590, HY-N8438, AKOS015903349, AS-59413, Methyl tetracosanoate, analytical standard, DB-046446, Tetracosanoic acid methyl ester (FAME MIX), CS-0144211, L0112, NS00027650, T72146, Methyl tetracosanoate, >=99.0% (capillary GC), Q24762827, 2450B6FA-63F4-4631-86DE-6CDF98A1449A, 219-475-2
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Deep Smiles	CCCCCCCCCCCCCCCCCCCCCCCC=O)OC
Heavy Atom Count	27.0
Classyfire Class	Fatty acyls
Classyfire Subclass	Fatty acid esters
Isotope Atom Count	0.0
Molecular Complexity	288.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	methyl tetracosanoate
Prediction Hob	0.0
Veber Rule	False
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	12.3
Gsk 4 400 Rule	False
Molecular Formula	C25H50O2
Prediction Swissadme	0.0
Inchi Key	XUDJZDNUVZHSKZ-UHFFFAOYSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.96
Logs	-7.346
Rotatable Bond Count	23.0
Logd	4.657
Synonyms	methyl lignocerate, methyl tetracosanoate, methyl-tetracosanoate
Esol Class	Poorly soluble
Functional Groups	COC(C)=O
Compound Name	Methyl tetracosanoate
Prediction Hob Swissadme	0.0
Exact Mass	382.381
Formal Charge	0.0
Monoisotopic Mass	382.381
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	382.7
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-7.800972600000001
Inchi	InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3
Smiles	CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
Nring	0.0
Np Classifier Biosynthetic Pathway	Fatty acids
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Np Classifier Superclass	Fatty Acids and Conjugates

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146. Outgoing r'ship FOUND_IN to/from Sesamum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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166. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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Methyl tetracosanoate

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Phytochemical Properties

Associated Connections 166

Plant Connections 166