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Methyl palmitoleate

PubChem CID: 643801

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Compound Synonyms METHYL PALMITOLEATE, 1120-25-8, (Z)-Methyl hexadec-9-enoate, Methyl (Z)-hexadec-9-enoate, Methyl cis-9-hexadecenoate, methyl (9Z)-hexadec-9-enoate, Palmitoleic acid methyl ester, Methyl palmitoleinate, 9-Hexadecenoic acid, methyl ester, (Z)-, Methyl Z-9-hexadecenoate, Methyl cis-hexadec-9-enoate, methyl palmitioleate, Palmitoleic acid, methyl ester, 35695QDB9F, EINECS 214-303-2, cis-9-Hexadecenoic acid, methyl ester, Palmitoleic acid-methyl ester, AI3-36450, CHEBI:84156, DTXSID00897351, METHYL PALMITOLEATE [USP-RS], MFCD00042911, WE(1:0/16:1(9Z)), METHYL PALMITOLEATE (USP-RS), 9-hexadecenoic acid, methyl ester, (9Z)-, Methyl palmitoleate Solution in Hexane, 100ug/mL, (Z)-Methylhexadec-9-enoate, UNII-35695QDB9F, Methyl cis-palmitoleate, formyl 9Z-hexadecenoate, Methyl 9Z-hexadecenoate, SCHEMBL440468, Methyl (9Z)-9-hexadecenoate #, Z9-hexadecenoic acid methyl ester, DTXCID301326715, LMFA07010501, MSK1832-100H, cis-9-Hexadecenoic Acid Methyl Ester, AKOS016013143, CS-W012404, HY-W011688, Methyl palmitoleate, analytical standard, Hexadecenoic acid methyl ester, 9-(Z)-, 1ST1832-100H, AC-33776, AS-59087, FP167524, DB-328191, NS00044473, P1958, C17H32O2 (cis-hexadec-9-enoic acid methyl ester), Methyl palmitoleate, >=99% (capillary GC), liquid, Q27157517, 0A07894A-8C05-4940-9DC5-451562B136DF, Methyl palmitoleate, United States Pharmacopeia (USP) Reference Standard, 214-303-2
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 CCCCCC/C=CCCCCCCCC=O)OC
Heavy Atom Count 19.0
Classyfire Class Fatty acyls
Classyfire Subclass Fatty acid esters
Isotope Atom Count 0.0
Molecular Complexity 221.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name methyl (Z)-hexadec-9-enoate
Prediction Hob 1.0
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 6.5
Gsk 4 400 Rule False
Molecular Formula C17H32O2
Prediction Swissadme 0.0
Inchi Key IZFGRAGOVZCUFB-HJWRWDBZSA-N
Silicos It Class Moderately soluble
Fcsp3 0.8235294117647058
Logs -4.187
Rotatable Bond Count 14.0
Logd 4.349
Synonyms methyl palmitoleate
Esol Class Moderately soluble
Functional Groups C/C=CC, COC(C)=O
Compound Name Methyl palmitoleate
Prediction Hob Swissadme 0.0
Exact Mass 268.24
Formal Charge 0.0
Monoisotopic Mass 268.24
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 268.4
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Lipinski Rule Of 5 True
Esol -4.593434199999998
Inchi InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8-
Smiles CCCCCC/C=C\CCCCCCCC(=O)OC
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 1.0
Egan Rule True
Np Classifier Superclass Fatty esters