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1,6-Octadien-3-ol

PubChem CID: 11040710

Connections displayed (default: 10).
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Compound Synonyms 1,6-Octadien-3-ol, SCHEMBL869790
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 9.0
Isotope Atom Count 0.0
Molecular Complexity 94.7
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (6E)-octa-1,6-dien-3-ol
Prediction Hob 1.0
Xlogp 1.9
Molecular Formula C8H14O
Prediction Swissadme 0.0
Inchi Key OSLCPZYIPCXBMS-HWKANZROSA-N
Fcsp3 0.5
Logs -1.314
Rotatable Bond Count 4.0
Logd 1.727
Compound Name 1,6-Octadien-3-ol
Prediction Hob Swissadme 0.0
Exact Mass 126.104
Formal Charge 0.0
Monoisotopic Mass 126.104
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 126.2
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 1.0
Esol -1.5680338
Inchi InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h3-5,8-9H,2,6-7H2,1H3/b5-3+
Smiles C/C=C/CCC(C=C)O
Nring 0.0
Defined Bond Stereocenter Count 1.0