Ylangenol
PubChem CID: 179519
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| Compound Synonyms | ylangenol, 41610-69-9, (1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]dec-3-enyl)methanol, SCHEMBL15797877, DTXSID90961838, JIXPRNKLOIEGFI-UHFFFAOYSA-N, RBA61069, (8-Isopropyl-1-methyltricyclo[4.4.0.02,7]dec-3-en-3-yl)methanol, Ref. J. Chil. Chem. Soc., 49, N 2 (2004), pp.:157-161, [1-Methyl-8-(propan-2-yl)tricyclo[4.4.0.0~2,7~]dec-3-en-3-yl]methanol, 1-methyl-8-(1-methylethyl)-tricyclo[4.4.0.0(2,7)]dec-3-ene-3-methanol, Tricyclo[4.4.0.02,7]dec-3-ene-3-methanol, 1-methyl-8-(1-methylethyl)-,, Tricyclo(4.4.0.0(2,7))dec-3-ene-3-methanol, 1-methyl-8-(1-methylethyl)-, stereoisomer |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]dec-3-enyl)methanol |
| Prediction Hob | 0.0 |
| Xlogp | 3.2 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | JIXPRNKLOIEGFI-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -4.173 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.272 |
| Compound Name | Ylangenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1028071999999995 |
| Inchi | InChI=1S/C15H24O/c1-9(2)11-6-7-15(3)12-5-4-10(8-16)14(15)13(11)12/h4,9,11-14,16H,5-8H2,1-3H3 |
| Smiles | CC(C)C1CCC2(C3C1C2C(=CC3)CO)C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Laggera Pterodonta (Plant) Rel Props:Source_db:cmaup_ingredients