Structure Database (LMSD)

Common Name
3,7,11-Trimethyldodeca-2E,4E-diene
Systematic Name
3,7,11-Trimethyldodeca-2E,4E-diene
Synonyms
LM ID
LMFA11000045
Formula
C15H28
Exact Mass
Calculate m/z
208.2191
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Alligator sinensis (#38654)
New terpene hydrocarbons from the alligatoridae (crocodylia, reptilia).,
J Nat Prod, 2003
Pubmed ID: 12542341

String Representations

InChiKey (Click to copy)
QUFVBBANWSSNQF-CKGOAGCQSA-N
InChi (Click to copy)
InChI=1S/C15H28/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8,10,13,15H,7,9,11-12H2,1-5H3/b10-8+,14-6+
SMILES (Click to copy)
C/C=C(\C)/C=C/CC(C)CCCC(C)C

Other Databases

PubChem CID
21599893

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 262.78
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.36
Molar Refractivity 71.04

Admin

Created at
-
Updated at
23rd Dec 2025