Structure Database (LMSD)
Common Name
3,7,11-Trimethyl-2E,4E,10-dodecatriene
Systematic Name
3,7,11-Trimethyl-2E,4E,10-dodecatriene
Synonyms
- Caparratriene
3D model of 3,7,11-Trimethyl-2E,4E,10-dodecatriene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
References
Comments
Pherobase Semiochemicals
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Paleosuchus palpebrosus
(#84099)
New terpene hydrocarbons from the alligatoridae (crocodylia, reptilia).,
J Nat Prod, 2003
J Nat Prod, 2003
Pubmed ID:
12542341
DOI:
10.1021/np020073r
Ocotea
(#63801)
Magnoliopsida
(#3398)
Caparratriene, an active sesquiterpene hydrocarbon from Ocotea caparrapi.,
J Nat Prod, 1996
J Nat Prod, 1996
Pubmed ID:
8984157
DOI:
10.1021/np960012r
String Representations
InChiKey (Click to copy)
GIBJEWOSWWYJSK-CKGOAGCQSA-N
InChi (Click to copy)
InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,15H,7,11-12H2,1-5H3/b10-8+,14-6+
SMILES (Click to copy)
C/C=C(\C)/C=C/CC(C)CC/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
260.14
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
5.28
Molar Refractivity
71.02
Admin
Created at
-
Updated at
19th Nov 2025