Structure database (LMSD)

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LM IDLMFA05000099
Common Name2,6-dimethyl-2E,7-octadiene-1,6-diol
Systematic Name2,6-dimethyl-2E,7-octadiene-1,6-diol
Synonyms(E)-3,7-Dimethylocta-1,6-diene-3,8-diol
Exact Mass
170.1307 (neutral)    Calculate m/z:
FormulaC10H18O2
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
AbbrevFOH 10:2;O
PubChem CID5280678
KEGG IDC04433
CHEBI ID15662
InChIKeyNSMIMJYEKVSYMT-RMKNXTFCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+
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SMILES
C(O)/C(/C)=C/CCC(C)(O)C=C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
193.86Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP2.21Molar
Refractivity
51.90