Structure Database (LMSD)

Common Name
3S,7,11-Trimethyl-6E,10-dodecadienal
Systematic Name
3S,7,11-Trimethyl-6E,10-dodecadienal
Synonyms
LM ID
LMFA06000160
Formula
C15H26O
Exact Mass
Calculate m/z
222.198365
Sum Composition
FAL 15:2
Status
Active
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)
ITBYWGRSPHMAEE-HNRFISLBSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,12,15H,5-6,8,10-11H2,1-4H3/b14-9+/t15-/m0/s1
SMILES (Click to copy)
C(C[C@@H](C)CC/C=C(\C)/CC/C=C(\C)/C)(=O)[H]

Other Databases

PubChem CID
44256573

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 268.93
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.68
Molar Refractivity 71.50

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Created at
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Updated at
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