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Methyl Pentadecanoate

PubChem CID: 23518

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Compound Synonyms METHYL PENTADECANOATE, 7132-64-1, Pentadecanoic acid, methyl ester, Pentadecanoic acid methyl ester, Methyl n-pentadecanoate, n-Pentadecanoic acid methyl ester, UNII-8K0ZV6FAIZ, 8K0ZV6FAIZ, MFCD00008989, EINECS 230-430-6, AI3-36452, pentadecanoic acid-methyl ester, DTXSID4040769, CHEBI:142657, Pentanedecanoic acid, methyl ester, EINECS 273-095-1, methyl pentadecanoic acid, Pentadecanoate methyl ester, Methyl N-pentadecanoic acid, Pentadecanoate, methyl ester, Methyl pentadecanoate, 98%, N-Pentadecanoate methyl ester, SCHEMBL246530, DTXCID008888, CHEMBL1900809, MSK1813, Methyl pentadecanoate, >=98.5%, HAA13264, STL454743, AKOS002676182, 1ST1813, CS-W004289, HY-W004289, NCGC00164331-01, AS-57591, Methyl pentadecanoate, analytical standard, SY051773, DB-055514, NS00012480, P0869, H10934, Q27270652, 93612FD5-1EFF-4869-9B03-8B8BAD63EE28, 230-430-6
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Wax monoesters
Deep Smiles CCCCCCCCCCCCCCC=O)OC
Heavy Atom Count 18.0
Classyfire Class Fatty acyls
Classyfire Subclass Fatty acid esters
Isotope Atom Count 0.0
Molecular Complexity 178.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P10275, P10828, Q96RI1, P04637, Q16236
Iupac Name methyl pentadecanoate
Prediction Hob 1.0
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 7.4
Gsk 4 400 Rule False
Molecular Formula C16H32O2
Prediction Swissadme 0.0
Inchi Key XIUXKAZJZFLLDQ-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.9375
Logs -6.474
Rotatable Bond Count 14.0
Logd 4.224
Synonyms methyl ester of pentadecanoic acid, methyl pentadecanoate, pentadecanoic acid methyl ester
Esol Class Moderately soluble
Functional Groups COC(C)=O
Compound Name Methyl Pentadecanoate
Prediction Hob Swissadme 0.0
Exact Mass 256.24
Formal Charge 0.0
Monoisotopic Mass 256.24
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 256.42
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -4.815065999999999
Inchi InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3
Smiles CCCCCCCCCCCCCCC(=O)OC
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Fatty esters