L-alpha-(-)-Pineneoxide
PubChem CID: 439800
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| Compound Synonyms | alpha-Pinene-oxide, 72936-74-4, L-ALPHA-(-)-PINENEOXIDE, (1S,6S)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane, L-alpha-(-)-Pinene oxide, DTXSID20331444, (1S,6S)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.0~2,4~]octane, BBL028119, MFCD09025587, STK801797, AKOS005622634, LMPR0102120007, AS-17526, NS00123843, C02759 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1C2CC1C1CC1C2 |
| Np Classifier Class | Pinane monoterpenoids |
| Deep Smiles | CCC)[C@@H]CCC[C@H]6C6))C)O3 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1C2CC1C1OC1C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,6S)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C1C2CC1C1OC1C2 |
| Inchi Key | NQFUSWIGRKFAHK-KEMUHUQJSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | alpha pinene oxide, alpha-pinene epoxide, alpha-pinene oxide, apinene oxide, α- pinene oxide |
| Esol Class | Soluble |
| Functional Groups | CC1OC1(C)C |
| Compound Name | L-alpha-(-)-Pineneoxide |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3/t6-,7-,8?,10?/m0/s1 |
| Smiles | CC1([C@H]2C[C@@H]1C3(C(C2)O3)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 Inula Racemosa (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788171360536 - 2. Outgoing r'ship
FOUND_INto/from Juniperus Virginiana (Plant) Rel Props:Reference:ISBN:9770972795006