Undecan-3-ol
PubChem CID: 98970
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-Undecanol, Undecan-3-ol, 6929-08-4, Undecanol-3, MFCD00046730, EINECS 230-054-2, NSC 158504, AI3-35681, 3-hendecanol, 3-hydroxyundecane, undecan-9-ol, NSC158504, SCHEMBL378964, CHEBI:195609, LMFA05000515, AKOS009159338, NSC-158504, BS-52902, SY053852, DB-241250, CS-0197373, NS00043282, U0028, D92752, 230-054-2 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 81.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | undecan-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C11H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HCARCYFXWDRVBZ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.504 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.067 |
| Compound Name | Undecan-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 172.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 172.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1586344 |
| Inchi | InChI=1S/C11H24O/c1-3-5-6-7-8-9-10-11(12)4-2/h11-12H,3-10H2,1-2H3 |
| Smiles | CCCCCCCCC(CC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients