13-Methyltetradecanoic Acid
PubChem CID: 151014
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| Compound Synonyms | 13-Methyltetradecanoic acid, 2485-71-4, Isopentadecanoic acid, 13-methylmyristic acid, Isopentadecylic acid, Subtilopentadecanoic acid, 13-Methylmyristate, 13-Mtd, UNII-M09T9M1LTY, M09T9M1LTY, iso-pentadecanoic acid, LeDSF3, Tetradecanoic acid, 13-methyl-, CHEBI:39250, 13-methyl-tetradecanoic acid, 13-Methyl tetradecanoic acid, DTXSID90179552, 13-METHYLTETRADECANOICACID, Isopentadecylate, EINECS 256-870-9, 27836-87-9, 50973-09-6, iso-C15, 13-Methyl tetradecanoate, 13-Methyl-tetradecansaeure, iso-C15:0, 15:0 iso, Isopentadecanoic acid (VAN), SCHEMBL366393, 13-MTA, CHEMBL495851, DTXCID50102043, i-C15:0, FA(i-15:0), LMFA01020009, MFCD00083431, AKOS040748729, i-15:0, DA-59861, MS-23435, PD078182, HY-131503, CS-0136053, NS00056584, G12313, 13-Methylmyristic acid, >=98% (capillary GC), Q20179071, 256-870-9, 636-731-2 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 13-methyltetradecanoic acid |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 5.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C15H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZOCYQVNGROEVLU-UHFFFAOYSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -4.786 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.414 |
| Synonyms | 13-Methyl tetradecanoic acid, 13-Methyl-tetradecansaeure, 13-MTD, 15:0 Iso, I-15:0, I-C15:0, Iso-C15, Iso-C15:0, Isopentadecylic acid, 13-Methyl tetradecanoate, Isopentadecylate, 13-Methylmyristate, 13-Methylmyristic acid, Isopentadecanoate, Isopentadecanoic acid, Subtilopentadecanoic acid, FA(i-15:0) |
| Compound Name | 13-Methyltetradecanoic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 242.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -4.5576986 |
| Inchi | InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17) |
| Smiles | CC(C)CCCCCCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Long-chain fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Paeonia Lactiflora (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all