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5,6-Dipropyldecane

PubChem CID: 518459

Connections displayed (default: 10).
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Compound Synonyms 5,6-Dipropyldecane, Decane, 5,6-dipropyl-, 5,6-Dipropyldecane #, AHCQADSOCBSROH-UHFFFAOYSA-N
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 16.0
Isotope Atom Count 0.0
Molecular Complexity 112.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5,6-dipropyldecane
Prediction Hob 1.0
Xlogp 8.3
Molecular Formula C16H34
Prediction Swissadme 0.0
Inchi Key AHCQADSOCBSROH-UHFFFAOYSA-N
Fcsp3 1.0
Logs -7.025
Rotatable Bond Count 11.0
Logd 5.93
Compound Name 5,6-Dipropyldecane
Prediction Hob Swissadme 0.0
Exact Mass 226.266
Formal Charge 0.0
Monoisotopic Mass 226.266
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 226.44
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -5.746977599999999
Inchi InChI=1S/C16H34/c1-5-9-13-15(11-7-3)16(12-8-4)14-10-6-2/h15-16H,5-14H2,1-4H3
Smiles CCCCC(CCC)C(CCC)CCCC
Nring 0.0
Defined Bond Stereocenter Count 0.0

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