9-Heptadecene-4,6-diyne-3,8-diol
PubChem CID: 49778070
Connections displayed (default: 10).
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| Compound Synonyms | Compound NP-019496, 9-Heptadecene-4,6-diyne-3,8-diol, AKOS040738203, (Z)-heptadec-9-en-4,6-diyne-3,8-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 369.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-heptadec-9-en-4,6-diyne-3,8-diol |
| Prediction Hob | 0.0 |
| Xlogp | 4.5 |
| Molecular Formula | C17H26O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CGMZKZLQZWZKJO-UVTDQMKNSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -3.773 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.199 |
| Compound Name | 9-Heptadecene-4,6-diyne-3,8-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 262.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.7486365999999998 |
| Inchi | InChI=1S/C17H26O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h10,14,16-19H,3-9H2,1-2H3/b14-10- |
| Smiles | CCCCCCC/C=C\C(C#CC#CC(CC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients