2-Ethenyl-2-methyl-5-(propan-2-yl)oxolane
PubChem CID: 14040251
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| Compound Synonyms | 71635-17-1, DTXSID80554814, 2-Ethenyl-2-methyl-5-(propan-2-yl)oxolane, 2-ethenyl-2-methyl-5-propan-2-yloxolane, SCHEMBL12486206, DTXCID70505597, GPVKUNYYWAKDRY-UHFFFAOYSA-N, AKOS015908319, 2-methyl-2-vinyl-5-isopropyltetrahydrofuran, 5-isopropyl-2-methyl-2-vinyltetrahydrofuran |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | C=CCC)CCCO5)CC)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Oxolanes |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethenyl-2-methyl-5-propan-2-yloxolane |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Scaffold Graph Node Bond Level | C1CCOC1 |
| Inchi Key | GPVKUNYYWAKDRY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 5-isopropyl-2-methyl-2-vinyltetrahydrofuran |
| Esol Class | Soluble |
| Functional Groups | C=CC, COC |
| Compound Name | 2-Ethenyl-2-methyl-5-(propan-2-yl)oxolane |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,8-9H,1,6-7H2,2-4H3 |
| Smiles | CC(C)C1CCC(O1)(C)C=C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Myrtus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1331141