1-Octadecyne
PubChem CID: 69425
Connections displayed (default: 10).
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| Compound Synonyms | 1-Octadecyne, 629-89-0, octadec-1-yne, Octadecyne, 8U6AS2VE7S, EINECS 211-114-7, MFCD00015088, UNII-8U6AS2VE7S, DTXSID90212079, Cetylacetylene, Hexadecylacetylene, QSPL 036, DTXCID40134570, STK050156, AKOS005384967, BS-53270, SY054187, CS-0186358, NS00042777, O0128, D91808 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 183.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octadec-1-yne |
| Prediction Hob | 1.0 |
| Xlogp | 8.9 |
| Molecular Formula | C18H34 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IYDNQWWOZQLMRH-UHFFFAOYSA-N |
| Fcsp3 | 0.8888888888888888 |
| Logs | -7.045 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.38 |
| Compound Name | 1-Octadecyne |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.266 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 250.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.088513999999999 |
| Inchi | InChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h1H,4-18H2,2H3 |
| Smiles | CCCCCCCCCCCCCCCCC#C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients