2-Methyl-3-(3-methyl-but-2-enyl)-2-(4-methyl-pent-3-enyl)-oxetane
PubChem CID: 550119
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| Compound Synonyms | AWNPSYCZIWLZRX-UHFFFAOYSA-N, 2-Methyl-3-(3-methyl-but-2-enyl)-2-(4-methyl-pent-3-enyl)-oxetane, 2-Methyl-3-(3-methyl-2-butenyl)-2-(4-methyl-3-pentenyl)oxetane # |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 280.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)oxetane |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | AWNPSYCZIWLZRX-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -5.026 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.3 |
| Compound Name | 2-Methyl-3-(3-methyl-but-2-enyl)-2-(4-methyl-pent-3-enyl)-oxetane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8119064 |
| Inchi | InChI=1S/C15H26O/c1-12(2)7-6-10-15(5)14(11-16-15)9-8-13(3)4/h7-8,14H,6,9-11H2,1-5H3 |
| Smiles | CC(=CCCC1(C(CO1)CC=C(C)C)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients