7-Tridecanol
PubChem CID: 136715
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7-Tridecanol, 927-45-7, tridecan-7-ol, CHEBI:87311, DTXSID60239112, MFCD00021955, NSC 158536, C13H28O, NSC158536, SCHEMBL664620, DTXCID80161603, AAA92745, AKOS014482618, NSC-158536, AS-76688, BP-29536, SY269080, DB-307409, D93272, Q27159517, 653-786-8 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 89.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tridecan-7-ol |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Is Pains | False |
| Molecular Formula | C13H28O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KWUWHKRBPALTGJ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 10.0 |
| Compound Name | 7-Tridecanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 200.214 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 200.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 200.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7990692 |
| Inchi | InChI=1S/C13H28O/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3 |
| Smiles | CCCCCCC(CCCCCC)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients