Structure Database (LMSD)

Common Name
4,5-Dimethyldecanal
Systematic Name
4,5-Dimethyldecanal
Synonyms
LM ID
LMFA06000150
Formula
C12H24O
Exact Mass
Calculate m/z
184.182715
Sum Composition
FAL 12:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
WGMKSPMCYFDKHP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H24O/c1-4-5-6-8-11(2)12(3)9-7-10-13/h10-12H,4-9H2,1-3H3
SMILES (Click to copy)
C(CCC(C)C(C)CCCCC)(=O)[H]

Other Databases

PubChem CID
44256570

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 222.31
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.82
Molar Refractivity 57.77

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Created at
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Updated at
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