(4R)-tetradecan-4-ol
PubChem CID: 13109011
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 112.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4R)-tetradecan-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C14H30O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HRDGAIGDKJXHIU-CQSZACIVSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.095 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.108 |
| Compound Name | (4R)-tetradecan-4-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 214.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1917366 |
| Inchi | InChI=1S/C14H30O/c1-3-5-6-7-8-9-10-11-13-14(15)12-4-2/h14-15H,3-13H2,1-2H3/t14-/m1/s1 |
| Smiles | CCCCCCCCCC[C@@H](CCC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients