Capryl caprate
PubChem CID: 74247
Connections displayed (default: 10).
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| Compound Synonyms | Decyl decanoate, 1654-86-0, Capryl caprate, DECANOIC ACID, DECYL ESTER, Decanoic Acid Decyl Ester, decyl caprate, n-Capric acid n-decyl ester, B88B7ACL5L, EINECS 216-729-4, 1-DECYL DECANOATE, DTXSID8061848, WE(10:0/10:0), UNII-B88B7ACL5L, Decyl decanoate #, SCHEMBL346718, N-CAPRICACIDN-DECYLESTER, DTXCID1035311, CHEBI:179717, LMFA07010458, MFCD00059280, AKOS040744787, HY-W127389, BS-21670, CS-0185625, D1080, NS00025416, F71281, Q27274496, 216-729-4 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 226.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | decyl decanoate |
| Prediction Hob | 0.0 |
| Xlogp | 8.7 |
| Molecular Formula | C20H40O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XAKXZZPEUKNHMA-UHFFFAOYSA-N |
| Fcsp3 | 0.95 |
| Logs | -7.026 |
| Rotatable Bond Count | 18.0 |
| Logd | 4.558 |
| Compound Name | Capryl caprate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.303 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.303 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 312.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.0581356 |
| Inchi | InChI=1S/C20H40O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3 |
| Smiles | CCCCCCCCCCOC(=O)CCCCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients