Lavandulol
PubChem CID: 5464156
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| Compound Synonyms | Lavandulol, (R)-Lavandulol, (-)-Lavandulol, 498-16-8, (R)-(-)-Lavandulol, (-)-2-Isopropenyl-5-methyl-4-hexen-1-ol, (R)-5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol, 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (R)-, (2R)-5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol, UNII-T2QB7QHN63, T2QB7QHN63, 2-Isopropenyl-5-methyl-4-hexen-1-ol, 4-Hexen-1-ol, 2-isopropenyl-5-methyl-, (-)-, (R)-5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol, DTXSID001017547, (2R)-5-methyl-2-(1-methylethenyl)hex-4-en-1-ol, (2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol, 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (theta)-, 5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol, CHEBI:50281, 5-methyl-2-(1-methylethenyl)hex-4-en-1-ol, SCHEMBL1301946, CHEBI:50283, HY-N7731A, DTXCID101475734, LMPR0102010019, CS-1098908, NS00120909, Q56459843 |
|---|---|
| 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, Irregular monoterpenoids |
| Deep Smiles | OC[C@@H]C=C)C))CC=CC)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 152.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | CZVXBFUKBZRMKR-JTQLQIEISA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6 |
| Logs | -2.302 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.652 |
| Synonyms | lavandulol, lavindulol |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CC=C(C)C, CO |
| Compound Name | Lavandulol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.4349686000000004 |
| Inchi | InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3/t10-/m0/s1 |
| Smiles | CC(=CC[C@@H](CO)C(=C)C)C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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