Structure database (LMSD)

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LM IDLMFA06000142
Common Name4R,8S-Dimethyldecanal
Systematic Name4R,8S-Dimethyldecanal
Synonyms-
Exact Mass
184.1827 (neutral)    Calculate m/z:
FormulaC12H24O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
AbbrevFAL 12:0
PubChem CID13456439
InChIKeyXAUQKOJHYTYNRM-NWDGAFQWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C12H24O/c1-4-11(2)7-5-8-12(3)9-6-10-13/h10-12H,4-9H2,1-3H3/t11-,12+/m0/s1
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SMILES
C(CC[C@H](C)CCC[C@@H](C)CC)(=O)[H]
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StatusActive
CommentsPherobase
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
222.31Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP3.82Molar
Refractivity
57.77