3,7-Dimethylocta-1,5,7-trien-3-ol
PubChem CID: 85470793
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| Compound Synonyms | EINECS 259-368-8, 54831-37-7, (Z)-(1)-3,7-Dimethylocta-1,5,7-trien-3-ol, 3,7-Dimethylocta-1,5,7-trien-3-ol, ZJIQIJIQBTVTDY-SREVYHEPSA-N, DTXSID001282966, (5Z)-3,7-Dimethyl-1,5,7-octatrien-3-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | Flavouring ingredient. Dehydrolinalool is found in common grape. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 179.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z)-3,7-dimethylocta-1,5,7-trien-3-ol |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | 2.8 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Alcohols and polyols |
| Molecular Formula | C10H16O |
| Inchi Key | ZJIQIJIQBTVTDY-SREVYHEPSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | (E)-3,7-Dimethylocta-1,5,7-trien-3-ol, 1,5,7-Octatrien-3-ol, 3,7-dimethyl-, 3,7-Dimethylocta-1,5,7-trien-3-ol, Dehydrolinalool, 3,7-dimethyl-1,5,7-octatrien-3-ol, FEMA 3830, Hotrienol, (e)-3,7-Dimethylocta-1,5,7-trien-3-ol, 3,7-Dimethyl-1,5,7-octatrien-3-ol |
| Compound Name | 3,7-Dimethylocta-1,5,7-trien-3-ol |
| Kingdom | Organic compounds |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3/b7-6- |
| Smiles | CC(=C)/C=C\CC(C)(C=C)O |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Tertiary alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Sambucus Nigra (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all