(2R)-2-[(2R,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol
PubChem CID: 56847471
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R)-2-[(2R,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Is Pains | False |
| Molecular Formula | C16H28O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HJAALFNAVJGZJV-BZUAXINKSA-N |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 5.0 |
| Compound Name | (2R)-2-[(2R,5S)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 252.209 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 252.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 252.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3239675999999996 |
| Inchi | InChI=1S/C16H28O2/c1-7-14(4)11-12-16(6,18-14)15(5,17)10-8-9-13(2)3/h7,9,17H,1,8,10-12H2,2-6H3/t14-,15-,16-/m1/s1 |
| Smiles | CC(=CCC[C@](C)([C@]1(CC[C@@](O1)(C)C=C)C)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients