13-Methylpentadecanoic acid
PubChem CID: 146501
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| Compound Synonyms | 13-methylpentadecanoic acid, 20121-96-4, Anteisopalmitic acid, Anteisohexa-decanoic acid, 13-methyl-pentadecanoic acid, Pentadecanoic acid, 13-methyl-, 13-METHYLPENTADECANOICACID, C15:0-13-methyl, SCHEMBL1476973, DTXSID80942151, CHEBI:131414, WWASUAHHCLARMF-UHFFFAOYSA-N, LMFA01020192, HY-165747, Q27225131 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 13-methylpentadecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C16H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WWASUAHHCLARMF-UHFFFAOYSA-N |
| Fcsp3 | 0.9375 |
| Logs | -5.028 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.556 |
| Compound Name | 13-Methylpentadecanoic acid |
| 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 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.9188659999999995 |
| Inchi | InChI=1S/C16H32O2/c1-3-15(2)13-11-9-7-5-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18) |
| Smiles | CCC(C)CCCCCCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients