4,8-Dimethyl-3,7-nonadien-2-ol
PubChem CID: 5365818
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| Compound Synonyms | 4,8-Dimethyl-3,7-nonadien-2-ol, 67845-50-5, 4,8-Dimethylnona-3,7-dien-2-ol, (3E)-4,8-dimethylnona-3,7-dien-2-ol, (3E)-4,8-Dimethyl-3,7-nonadien-2-ol, FEMA No. 4102, E-, UNII-5UBO74OI9O, 4,8-Dimethyl-3,7-nonadien-2-ol,(3E)-, 5UBO74OI9O, AI3-38063, 3,7-Nonadien-2-ol, 4,8-dimethyl-, (E)-, EINECS 267-321-8, 3,7-Nonadien-2-ol, 4,8-dimethyl-, (3E)-, 34562-09-9, (+/-)-(E)-4,8-dimethyl-3,7-nonadien-2-ol, 3,7-Nonadien-2-ol, 4,8-dimethyl-, 4O445600AL, (+/-)-trans- and cis-4,8-Dimethyl-3,7-nonadien-2-ol, DTXSID20867359, UNII-4O445600AL, SCHEMBL808086, FEMA NO. 4102, DTXCID60815551, AKOS025296128, HS-6473, (E)-4,8-dimethylnona-3,7-dien-2-ol, trans-4,8-dimethyl-3,7-nonadien-2-ol, (3E)-4,8-dimethyl-nona-3,7-dien-2-ol, Q27262892, (+/-)-CIS-AND TRANS-4,8-DIMETHYL-3,7-NONADIEN-2-OL, (+/-)-TRANS-AND CIS-4,8-DIMETHYL-3,7-NONADIEN-2-OL, (+/-)-TRANS-AND CIS-4,8-DIMETHYL-3,7-NONADIEN-2-OL [FHFI] |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | CC=CCC/C=C/CO)C)))/C)))))C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Prenol lipids |
| Description | It is used as a food additive . |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 173.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E)-4,8-dimethylnona-3,7-dien-2-ol |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H20O |
| Inchi Key | NYPOJSCNHYUZRG-CSKARUKUSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | (3E)-4,8-Dimethyl-3,7-nonadien-2-ol, 3,7-Nonadien-2-ol, 4,8-dimethyl-, 4,8-Dimethyl-3,7-nonadien-2-ol, 4,8-Dimethylnona-3,7-dien-2-ol, 4,8-dimethyl-3,7-nonadien-2-ol |
| Esol Class | Soluble |
| Functional Groups | C/C=C(/C)C, CC=C(C)C, CO |
| Compound Name | 4,8-Dimethyl-3,7-nonadien-2-ol |
| Kingdom | Organic compounds |
| Exact Mass | 168.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 168.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H20O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8,11-12H,5,7H2,1-4H3/b10-8+ |
| Smiles | CC(/C=C(\C)/CCC=C(C)C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Acyclic monoterpenoids |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Judaica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3525