Icosa-11,14-dienoic acid
PubChem CID: 3208
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| Compound Synonyms | icosa-11,14-dienoic acid, Eicosa-11,14-dienoic acid, Eicosadienoic acid, 11,14-Eicosadienoicacid, (11Z,14Z)-eicosadienoic acid, DTXSID101312766, MFCD00673431, CBiol_001980, KBioGR_000046, KBioSS_000046, KBio2_000046, KBio2_002614, KBio2_005182, KBio3_000091, KBio3_000092, XSXIVVZCUAHUJO-UHFFFAOYSA-N, Bio1_000266, Bio1_000755, Bio1_001244, Bio2_000046, Bio2_000526, FAA59838, SY314031, DB-045431, CH3(CH2)4CH=CHCH2CH=CH(CH2)9COOH, CH3(CH2)4-CH=CHCH2CH=CH(CH2)9COOH, Q27165118 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 292.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | icosa-11,14-dienoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 7.9 |
| Molecular Formula | C20H36O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XSXIVVZCUAHUJO-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | -5.821 |
| Rotatable Bond Count | 16.0 |
| Logd | 3.816 |
| Compound Name | Icosa-11,14-dienoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 308.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.761937199999999 |
| Inchi | InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22) |
| Smiles | CCCCCC=CCC=CCCCCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients