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Dec-3-en-1-yne

PubChem CID: 137722

Connections displayed (default: 10).
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Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 10.0
Isotope Atom Count 0.0
Molecular Complexity 122.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name dec-3-en-1-yne
Prediction Hob 1.0
Xlogp 4.1
Molecular Formula C10H16
Prediction Swissadme 0.0
Inchi Key OMLUZGAUTCIZLU-UHFFFAOYSA-N
Fcsp3 0.6
Logs -4.257
Rotatable Bond Count 5.0
Logd 3.572
Compound Name Dec-3-en-1-yne
Prediction Hob Swissadme 0.0
Exact Mass 136.125
Formal Charge 0.0
Monoisotopic Mass 136.125
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 136.23
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -2.9691756
Inchi InChI=1S/C10H16/c1-3-5-7-9-10-8-6-4-2/h1,5,7H,4,6,8-10H2,2H3
Smiles CCCCCCC=CC#C
Nring 0.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients