Dimethyl triacontanedioate
PubChem CID: 566759
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| Compound Synonyms | Dimethyl triacontanedioate, 24397-43-1, Dimethyl triacontanedioate #, TVLUURPTIMUJNX-UHFFFAOYSA-N, Triacontanedioic acid, dimethyl ester |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 421.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dimethyl triacontanedioate |
| Prediction Hob | 0.0 |
| Xlogp | 13.8 |
| Molecular Formula | C32H62O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TVLUURPTIMUJNX-UHFFFAOYSA-N |
| Fcsp3 | 0.9375 |
| Logs | -7.416 |
| Rotatable Bond Count | 31.0 |
| Logd | 4.647 |
| Compound Name | Dimethyl triacontanedioate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 510.465 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 510.465 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 510.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.680432800000005 |
| Inchi | InChI=1S/C32H62O4/c1-35-31(33)29-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32(34)36-2/h3-30H2,1-2H3 |
| Smiles | COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Equisetum Arvense (Plant) Rel Props:Source_db:cmaup_ingredients