2,7-Cyclodecadien-1-ol, 1,7-dimethyl-4-(1-methylethyl)-
PubChem CID: 522445
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| Compound Synonyms | 72120-50-4, 2,7-Cyclodecadien-1-ol, 1,7-dimethyl-4-(1-methylethyl)-, DTXSID80334956 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Is Pains | False |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 1.0 |
| Inchi Key | RHCTXHCNRLCYBN-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 2,7-Cyclodecadien-1-ol, 1,7-dimethyl-4-(1-methylethyl)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.5278064000000002 |
| Inchi | InChI=1S/C15H26O/c1-12(2)14-8-7-13(3)6-5-10-15(4,16)11-9-14/h6,9,11-12,14,16H,5,7-8,10H2,1-4H3 |
| Smiles | CC1=CCCC(C=CC(CC1)C(C)C)(C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients