2-Methoxyfuranodiene
PubChem CID: 6325622
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-Methoxyfuranodiene, SCHEMBL17793867, NWLNPDFDTSFGEU-SSQAHJBYSA-N |
|---|---|
| Topological Polar Surface Area | 22.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5E,9E)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C16H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NWLNPDFDTSFGEU-QAZZFAKDSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.936 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.362 |
| Compound Name | 2-Methoxyfuranodiene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 246.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 246.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.466225555555556 |
| Inchi | InChI=1S/C16H22O2/c1-11-5-6-15-13(3)10-18-16(15)9-12(2)8-14(7-11)17-4/h5,8,10,14H,6-7,9H2,1-4H3/b11-5+,12-8+ |
| Smiles | C/C/1=C\CC2=C(C/C(=C/C(C1)OC)/C)OC=C2C |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients