5-Hepten-1-ol, 2-ethenyl-6-methyl-
PubChem CID: 534957
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| Compound Synonyms | 1-Myrcenol, KVHJTOFYUOMLLH-UHFFFAOYSA-N, 6-Methyl-2-vinyl-5-hepten-1-ol #, 5-Hepten-1-ol, 2-ethenyl-6-methyl- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 132.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethenyl-6-methylhept-5-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | KVHJTOFYUOMLLH-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -2.723 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.821 |
| Compound Name | 5-Hepten-1-ol, 2-ethenyl-6-methyl- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2051686 |
| Inchi | InChI=1S/C10H18O/c1-4-10(8-11)7-5-6-9(2)3/h4,6,10-11H,1,5,7-8H2,2-3H3 |
| Smiles | CC(=CCCC(CO)C=C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients