5-cyclodecen-1-ol, 4,10-bis(methylene)-7-(1-methylethyl)-, (1R,5E,7S)-
PubChem CID: 643709
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| Compound Synonyms | 1, A-Hydroxy-4(15),5E,10(14)-germacratriene, 1beta-Hydroxy-4(15),5E,10(14)-germacratriene, CHEMBL3262201, SCHEMBL25337903, 5-cyclodecen-1-ol, 4,10-bis(methylene)-7-(1-methylethyl)-, (1R,5E,7S)-, HY-N1870, CS-0017740, 7-Isopropyl-4,10-dimethylene-cyclodec-5-enol, rel-(1R,5E,7S)-7-isopropyl-4,10-bis(methylene)cyclodec-5-en-1-ol, InChI=1/C15H24O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h5,8,11,14-16H,3-4,6-7,9-10H2,1-2H3/b8-5+/t14-,15+/m0/s |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,5E,7S)-4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | OSSWBZXPRYZGRO-YKHJJTLOSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.352 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.596 |
| Compound Name | 5-cyclodecen-1-ol, 4,10-bis(methylene)-7-(1-methylethyl)-, (1R,5E,7S)- |
| Prediction Hob Swissadme | 1.0 |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.4586071999999994 |
| Inchi | InChI=1S/C15H24O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h5,8,11,14-16H,3-4,6-7,9-10H2,1-2H3/b8-5+/t14-,15+/m0/s1 |
| Smiles | CC(C)[C@@H]\1CCC(=C)[C@@H](CCC(=C)/C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cananga Odorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Diospyros Kaki (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all