1-Hexa-2,4-diynyl-2-methoxybenzene
PubChem CID: 5319414
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| Topological Polar Surface Area | 9.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 290.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hexa-2,4-diynyl-2-methoxybenzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C13H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | AWBXMNYCXOZEMM-UHFFFAOYSA-N |
| Fcsp3 | 0.2307692307692307 |
| Logs | -4.368 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.735 |
| Compound Name | 1-Hexa-2,4-diynyl-2-methoxybenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 184.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.580318457142857 |
| Inchi | InChI=1S/C13H12O/c1-3-4-5-6-9-12-10-7-8-11-13(12)14-2/h7-8,10-11H,9H2,1-2H3 |
| Smiles | CC#CC#CCC1=CC=CC=C1OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camptotheca Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients