3,7-Dimethyloct-7-en-1-ol
PubChem CID: 543323
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| Compound Synonyms | 3,7-Dimethyloct-7-en-1-ol, 3,7-Dimethyl-7-octen-1-ol, Rhodinol, alpha-Citronellol, 141-25-3, .alpha.-Citronellol, 7-OCTEN-1-OL, 3,7-DIMETHYL-, 2,6-Dimethyl-1-octen-8-ol, DTXSID2047193, EINECS 205-473-9, a-Citronellol, Rhodinol?, S-(-)-3,7-Dimethyl-7-octen-1-ol, 3,7-Dimethyl-7-octen-1-ol-, (S)-, SCHEMBL116734, DTXCID9027233, FEMA 2980, Tox21_302625, LMFA05000637, (S)-3,7-dimethyl-oct-7-en-1-ol, AKOS004905699, NCGC00256691-01, AS-85689, CAS-141-25-3, DB-003359, NS00093585, Q67879666, 205-473-9 |
|---|---|
| Ghose Rule | False |
| 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 | OCCCCCCC=C)C)))))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Fatty acyls |
| Description | Flavouring ingredient |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 107.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dimethyloct-7-en-1-ol |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20O |
| Inchi Key | JGQFVRIQXUFPAH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | 2,6-Dimethyl-1-octen-8-ol, 3,7-Dimethyl-7-octen-1-ol, 3,7-Dimethyloct-7-en-1-ol, 7-Octen-1-ol, 3,7-dimethyl-, a-Citronellol, alpha-Citronellol, FEMA 2980, Rhodinol?, Α-citronellol, Rhodinol, 3,7-dimethyl-oct-1-en-6-one |
| Substituent Name | Fatty alcohol, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic acyclic compound |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | 3,7-Dimethyloct-7-en-1-ol |
| Kingdom | Organic compounds |
| Exact Mass | 156.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 156.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3 |
| Smiles | CC(CCCC(=C)C)CCO |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Tagetes Minuta (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279