Cyclotetradecan-1-one
PubChem CID: 77153
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| Compound Synonyms | cyclotetradecanone, 3603-99-4, Cyclotetradecan-1-one, EINECS 222-758-3, DTXSID50189596, Cyclotetradecanone-, cyclotetradecanon, MM5Y5C3KJY, SCHEMBL486942, DTXCID10112087, NS00012177, 222-758-3 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 147.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclotetradecanone |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C14H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FUGDHQXYVPQGLJ-UHFFFAOYSA-N |
| Fcsp3 | 0.9285714285714286 |
| Logs | -4.208 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.876 |
| Compound Name | Cyclotetradecan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 210.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4643381999999985 |
| Inchi | InChI=1S/C14H26O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h1-13H2 |
| Smiles | C1CCCCCCC(=O)CCCCCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Trichostachyon (Plant) Rel Props:Source_db:cmaup_ingredients