Lilac alcohol
PubChem CID: 526973
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| Compound Synonyms | Lilac alcohol, Lilac alcohol A, 2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol, 2-(5-Methyl-5-vinyltetrahydro-2-furanyl)-1-propanol, 5-Ethenyltetrahydro-b,5-dimethyl-2-furanethanol, 9CI, Lilac alcohol B, Lilac alcohol C, Lilac alcohol D, Lilac alcohol (isomer I), SCHEMBL1717171, CHEBI:180226, VUEGXHXUMOZKKN-UHFFFAOYSA-N, 2-(5-ethenyl-5-methyloxolan-2-yl)propanol, trans-5-(2-hydroxyi-propyl)-2-methyl-2-vinyltetrahydrofuran, 2-Furanethanol, 5-ethenyltetrahydro-.beta.,5-dimethyl-, (.beta.S,2S,5S)-, 35997-39-8 |
|---|---|
| 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 | Acyclic monoterpenoids |
| Deep Smiles | OCCCCCCO5)C)C=C))))))C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Tetrahydrofurans |
| Description | Constituent of dried woodruff and coriander oil aroma. May also be present in honeys from certain flowers. Lilac alcohol is found in herbs and spices. |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol |
| Class | Tetrahydrofurans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.6 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O2 |
| Scaffold Graph Node Bond Level | C1CCOC1 |
| Inchi Key | VUEGXHXUMOZKKN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2-(5-Methyl-5-vinyltetrahydro-2-furanyl)-1-propanol, 5-Ethenyltetrahydro-b,5-dimethyl-2-furanethanol, 9CI, Lilac alcohol a, Lilac alcohol b, Lilac alcohol c, Lilac alcohol d, 5-ethenyltetrahydro-b,5-Dimethyl-2-furanethanol, 9ci, Lilac alcohol D, lilac alcohol, lilac alcohol a |
| Esol Class | Very soluble |
| Functional Groups | C=CC, CO, COC |
| Compound Name | Lilac alcohol |
| Kingdom | Organic compounds |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,8-9,11H,1,5-7H2,2-3H3 |
| Smiles | CC(CO)C1CCC(O1)(C)C=C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Tetrahydrofurans |
| Np Classifier Superclass | Monoterpenoids |
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