7,10-Epoxy-2,6,10-trimethyl-dodeca-2,11-dien-6-ol B
PubChem CID: 6429101
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7,10-Epoxy-2,6,10-trimethyl-dodeca-2,11-dien-6-ol B, SCHEMBL11251017, OIVTVPOJCWXSIC-UHFFFAOYSA-N, 2,6,10-trimethyl-7,10-epoxy-2,11-dodecadien-6-ol, 7,10-Epoxy-2,6,10-trimethyl-dodeca-2,11-dien-6-ol D |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Farnesane sesquiterpenoids |
| Deep Smiles | C=CCC)CCCO5)CCCC=CC)C)))))O)C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Tetrahydrofurans |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 304.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5-ethenyl-5-methyloxolan-2-yl)-6-methylhept-5-en-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H26O2 |
| Scaffold Graph Node Bond Level | C1CCOC1 |
| Inchi Key | OIVTVPOJCWXSIC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2,6,10-trimethyl-7,10-epoxy-2 , 11-dodecadien-6-ol, 2,6,10-trimethyl-7,10-epoxy-2,11-dodecadien-6-ol |
| Esol Class | Soluble |
| Functional Groups | C=CC, CC=C(C)C, CO, COC |
| Compound Name | 7,10-Epoxy-2,6,10-trimethyl-dodeca-2,11-dien-6-ol B |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H26O2/c1-6-14(4)11-9-13(17-14)15(5,16)10-7-8-12(2)3/h6,8,13,16H,1,7,9-11H2,2-5H3 |
| Smiles | CC(=CCCC(C)(C1CCC(O1)(C)C=C)O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Machilus Gamblei (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9699455