Sulcatol
PubChem CID: 20745
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| Compound Synonyms | 6-METHYL-5-HEPTEN-2-OL, 6-Methylhept-5-en-2-ol, Sulcatol, 1569-60-4, 5-Hepten-2-ol, 6-methyl-, 2-Methyl-2-hepten-6-ol, (+/-)-6-Methyl-5-Hepten-2-ol, 4630-06-2, (R)-Sulcatol, 6-Hydroxy-2-methyl-2-heptene, NSC 66273, (+/-)-SULCATOL, DTXSID8051754, EINECS 216-377-1, NSC-66273, 33321H09GI, 6-methyl-hept-5-en-2-ol, AI3-25074, DTXCID7030309, FEMA NO. 4884, CHEBI:15833, MFCD00004561, dl-6-Methyl-5-hepten-2-ol, Heptenol,methyl-, UNII-33321H09GI, coriander heptenol, SCHEMBL195482, 6-Methyl-5-hepten-2-ol, 99%, NSC66273, Tox21_303934, LMFA05000566, Sulcatol (6-Methylhept-5-en-2-ol), AKOS008996527, SB45311, SB45412, (.+/-.)-6-Methyl-5-hepten-2-ol, NCGC00357173-01, AS-58307, 6-Methyl-5-hepten-2-ol, >=99%, FG, CAS-1569-60-4, DB-064153, CS-0132739, CS-0356782, NS00012901, C07288, E81628, EN300-1259133, Q27098251, 216-377-1 |
|---|---|
| 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 | CCCCC=CC)C)))))O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Fatty acyls |
| Description | Flavouring ingredient |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.7 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methylhept-5-en-2-ol |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OHEFFKYYKJVVOX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.75 |
| Logs | -1.671 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.633 |
| Synonyms | R-Sulcatol, 6-Methyl-5-hepten-2-ol, 6-Methylhept-5-en-2-ol, 6-methyl-5-hepten-2-ol, 6-methylhept-5-en-2-ol, hept-5-en-2-ol, 6-methyl, sulcatol |
| Esol Class | Very soluble |
| Functional Groups | CC=C(C)C, CO |
| Compound Name | Sulcatol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 128.21 |
| 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 |
| Esol | -1.879633 |
| Inchi | InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3 |
| Smiles | CC(CCC=C(C)C)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Monoterpenoids |
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