Structure database (LMSD)

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LM IDLMFA05000510
Common NameDecan-3-ol
Systematic NameDecan-3-ol
Synonyms-
Exact Mass
158.1671 (neutral)    Calculate m/z:
FormulaC10H22O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID519158
HMDB IDHMDB0031408
InChIKeyICEQLCZWZXUUIJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3
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SMILES
CCC(O)CCCCCCC
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MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
190.35Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP3.40Molar
Refractivity
50.19