Structure database (LMSD)

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LM IDLMFA05000018
Common Name1,3S-dihydroxy-8E-decen-5-one
Systematic Name1,3S-dihydroxy-8E-decen-5-one
Synonyms1,3S-dihydroxy-deca-8E-en-5-one; (3S,8E)-1,3-dihydroxy-8-decen-5-one
Exact Mass
186.1256 (neutral)    Calculate m/z:
FormulaC10H18O3
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID5283272
InChIKeySHHVNLZCXWAKNG-PBKGFPTLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H18O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-3,10-11,13H,4-8H2,1H3/b3-2+/
t10-/m0/s1
SMILESC/C=C/CCC(=O)C[C@@H](O)CCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
202.65Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP1.62Molar
Refractivity
52.38