(3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol
PubChem CID: 162868343
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 1.0 |
| Inchi Key | SQRIUUSIOSHZFA-SNVBAGLBSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.761 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.311 |
| Compound Name | (3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5580694 |
| Inchi | InChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5,10-11H,1-2,4,6-7H2,3H3/t10-/m1/s1 |
| Smiles | CC(=C)[C@@H](CCC(=C)C=C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Catha Edulis (Plant) Rel Props:Source_db:cmaup_ingredients