1-Decyne
PubChem CID: 12997
Connections displayed (default: 10).
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| Compound Synonyms | 1-DECYNE, 764-93-2, dec-1-yne, Decyne, Octylacetylene, n-Octylacetylene, UNII-ULR28GD98Q, ULR28GD98Q, EINECS 212-132-8, MFCD00009576, 27381-15-3, CHEBI:87322, DTXSID60870766, 1-C10H18, 1-Decyne, 98%, decine, Dec1yne, deca-1-yne, DTXCID00818460, AKOS015836221, GS-6899, SY048328, DB-019148, D0037, NS00042496, F11366, EN300-1692834, Q3486511, 212-132-8 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 93.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dec-1-yne |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C10H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ILLHQJIJCRNRCJ-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.427 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.658 |
| Compound Name | 1-Decyne |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 138.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1928748 |
| Inchi | InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h1H,4-10H2,2H3 |
| Smiles | CCCCCCCCC#C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients