Structure Database (LMSD)

Common Name
3,7-Dimethylocta-2E,4E-diene
Systematic Name
3,7-Dimethylocta-2E,4E-diene
Synonyms
LM ID
LMFA11000046
Formula
C10H18
Exact Mass
Calculate m/z
138.14085
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
NXFMFYVNTLULFW-SOYUKNQTSA-N
InChi (Click to copy)
InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5-6,8-9H,7H2,1-4H3/b8-6+,10-5+
SMILES (Click to copy)
C/C=C(\C)/C=C/CC(C)C

Other Databases

CHEBI ID
187618
PubChem CID
5463316

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 176.28
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.55
Molar Refractivity 48.03

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Created at
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Updated at
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