Oxacyclotetradeca-4,11-diyne
PubChem CID: 560917
Connections displayed (default: 10).
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| Compound Synonyms | Oxacyclotetradeca-4,11-diyne, SCHEMBL9148127, ISEQOSOYOGJYOG-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 237.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-oxacyclotetradeca-4,11-diyne |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Is Pains | False |
| Molecular Formula | C13H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ISEQOSOYOGJYOG-UHFFFAOYSA-N |
| Fcsp3 | 0.6923076923076923 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Oxacyclotetradeca-4,11-diyne |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 190.136 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 190.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 190.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1932731999999997 |
| Inchi | InChI=1S/C13H18O/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-5,10-13H2 |
| Smiles | C1CCC#CCCOCCC#CCC1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients