1'-Hydroxydocasanyl cyclohexane
PubChem CID: 49797776
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| Compound Synonyms | 1'-Hydroxydocasanyl cyclohexane, 20-cyclohexylicosan-1-ol, SCHEMBL1006170, CHEMBL1170105 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 269.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 20-cyclohexylicosan-1-ol |
| Prediction Hob | 0.0 |
| Xlogp | 12.2 |
| Molecular Formula | C26H52O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RDWUOKKSOYENMQ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.28 |
| Rotatable Bond Count | 20.0 |
| Logd | 4.502 |
| Compound Name | 1'-Hydroxydocasanyl cyclohexane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 380.402 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.402 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 380.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.566346200000002 |
| Inchi | InChI=1S/C26H52O/c27-25-21-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-22-26-23-19-17-20-24-26/h26-27H,1-25H2 |
| Smiles | C1CCC(CC1)CCCCCCCCCCCCCCCCCCCCO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Haloxylon Persicum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Haloxylon Recurvum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Haloxylon Salicornicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all