3,6,9-Trimethyldecahydroazuleno[4,5-b]furan-2(9bh)-one
PubChem CID: 5316109
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| Compound Synonyms | 3,6,9-trimethyldecahydroazuleno[4,5-b]furan-2(9bh)-one |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 325.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6,9-trimethyl-3a,4,5,6,6a,7,8,9,9a,9b-decahydro-3H-azuleno[4,5-b]furan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.4 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IICZMVCRWGAHJB-UHFFFAOYSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -4.188 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.711 |
| Compound Name | 3,6,9-Trimethyldecahydroazuleno[4,5-b]furan-2(9bh)-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.045901 |
| Inchi | InChI=1S/C15H24O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h8-14H,4-7H2,1-3H3 |
| Smiles | CC1CCC2C(C(=O)OC2C3C1CCC3C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients