13-(Cyclopent-2-enyl)tridecanoic acid
PubChem CID: 72853
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| Compound Synonyms | chaulmoogric acid, 13-cyclopent-2-en-1-yltridecanoic acid, CHEMBL1649743, CHEBI:27939, NSC14979, NSC52425, 13-(Cyclopent-2-enyl)tridecanoic acid, 2-Cyclopentene-1-tridecanoic acid, hydnocarpylacetic acid, 502-30-7, 13-(2-cyclopenten-1-yl)tridecanoic acid, Chaulmoograsaeure, NSC-14979, NSC-26989, NSC-52425, Chaulmoogrylsaeure, acido chaulmogrico, acide chaulmoogrique, Spectrum_001409, SpecPlus_000417, Spectrum2_001222, Spectrum3_001224, Spectrum4_001881, Spectrum5_000502, BSPBio_002668, KBioGR_002406, KBioSS_001889, DivK1c_006513, SCHEMBL560848, SPBio_001064, 2-Cyclopentene-1-tridecanoicacid, KBio1_001457, KBio2_001889, KBio2_004457, KBio2_007025, KBio3_002168, DTXSID00872002, XMVQWNRDPAAMJB-UHFFFAOYSA-N, NSC26989, BDBM50335562, CCG-38373, AKOS024340232, SDCCGMLS-0066625.P001, NCGC00178541-01, 13-(Cyclopent-2-en-1-yl)tridecanoic acid, 14979 AND 26989, 14979 AND 52425, NS00050526, SR-05000002527, SR-05000002527-1, Q27103411 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 13-cyclopent-2-en-1-yltridecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 7.0 |
| Molecular Formula | C18H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XMVQWNRDPAAMJB-UHFFFAOYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -5.267 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.321 |
| Compound Name | 13-(Cyclopent-2-enyl)tridecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 280.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1182023999999995 |
| Inchi | InChI=1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20) |
| Smiles | C1CC(C=C1)CCCCCCCCCCCCC(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Centella Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients