Structure database (LMSD)

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LM IDLMFA05000037
Common NamePanaxydol chlorohydrine
Systematic Name10-chloro-heptadeca-1-en-4,6-diyn-3,9-diol
Synonyms-
Exact Mass
296.1543 (neutral)    Calculate m/z:
FormulaC17H25ClO2
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID130664
HMDB IDHMDB0039534
InChIKeyPBNFQEYKZLUTLH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H25ClO2/c1-3-5-6-7-10-13-16(18)17(20)14-11-8-9-12-15(19)4-2/h4,15-17
,19-20H,2-3,5-7,10,13-14H2,1H3
SMILESC(O)(C=C)C#CC#CCC(O)C(Cl)CCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
322.25Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP4.12Molar
Refractivity
86.93