Structure Database (LMSD)

Common Name
2,4-Dimethyl-2E,4E-hexadien-1-ol
Systematic Name
2,4-Dimethyl-2E,4E-hexadien-1-ol
Synonyms
LM ID
LMFA05000114
Formula
C8H14O
Exact Mass
Calculate m/z
126.104465
Sum Composition
FOH 8:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Leiobunum (#88342)
Arachnida (#6854)
Characterization and synthesis of volatile compounds from the defensive secretions of some "daddy longlets" (Arachnida: Opiliones: Leiobunum spp.).,
Proc Natl Acad Sci U S A, 1977
Pubmed ID: 265514

String Representations

InChiKey (Click to copy)
YZDKYYZSTTWZDN-NSLJXJERSA-N
InChi (Click to copy)
InChI=1S/C8H14O/c1-4-7(2)5-8(3)6-9/h4-5,9H,6H2,1-3H3/b7-4+,8-5+
SMILES (Click to copy)
OC/C(/C)=C/C(/C)=C/C

Other Databases

CHEBI ID
195682
PubChem CID
13818518

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 150.47
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.18
Molar Refractivity 40.76

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Created at
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Updated at
6th Jan 2025