(5R)-4-methyl-5-(3-methylbut-2-enyl)-2H-furan-5-ol
PubChem CID: 163022955
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 224.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5R)-4-methyl-5-(3-methylbut-2-enyl)-2H-furan-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MTDYTTVKGSRFCY-SNVBAGLBSA-N |
| Fcsp3 | 0.6 |
| Logs | -2.666 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.609 |
| Compound Name | (5R)-4-methyl-5-(3-methylbut-2-enyl)-2H-furan-5-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6645632 |
| Inchi | InChI=1S/C10H16O2/c1-8(2)4-6-10(11)9(3)5-7-12-10/h4-5,11H,6-7H2,1-3H3/t10-/m1/s1 |
| Smiles | CC1=CCO[C@@]1(CC=C(C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nidema Boothii (Plant) Rel Props:Source_db:cmaup_ingredients