Structure Database (LMSD)

Common Name
4R,8R-Dimethyldecanal
Systematic Name
4R,8R-Dimethyldecanal
Synonyms
LM ID
LMFA06000141
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Tribolium castaneum (#7070)
Insecta (#50557)
Synthesis of the 1,5-dimethylic chiron enantiomers, 3,7,11-trimethyldodec-10-en-1-ol: application to enantiomeric syntheses of tribolure and a marine fatty acid,
Tetrahedron: Asymm, 2002

String Representations

InChiKey (Click to copy)
XAUQKOJHYTYNRM-VXGBXAGGSA-N
InChi (Click to copy)
InChI=1S/C12H24O/c1-4-11(2)7-5-8-12(3)9-6-10-13/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1
SMILES (Click to copy)
C(CC[C@H](C)CCC[C@H](C)CC)(=O)[H]

Other Databases

PubChem CID
11063093

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
14th Jan 2025