(-)-Menthofuran
PubChem CID: 7168192
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| Compound Synonyms | (-)-menthofuran, S-(-)-Menthofuran, Menthofuran, (-)-, 80183-38-6, (6S)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran, Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl-, (6S)-, OS9602CGD2, Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl-, (S)-, (S)-3,6-Dimethyl-4,5,6,7-tetrahydrobenzofuran, UNII-OS9602CGD2, SCHEMBL12013745, CHEBI:50544, DTXSID20230140, YGWKXXYGDYYFJU-ZETCQYMHSA-N, Q27122109 |
|---|---|
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6S)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YGWKXXYGDYYFJU-ZETCQYMHSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.23 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.811 |
| Compound Name | (-)-Menthofuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0103338363636363 |
| Inchi | InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1 |
| Smiles | C[C@H]1CCC2=C(C1)OC=C2C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuisfolia (Plant) Rel Props:Source_db:cmaup_ingredients