Structure Database (LMSD)

Common Name
2,4-Dimethyl-2E,4E-heptadien-1-ol
Systematic Name
2,4-Dimethyl-2E,4E-heptadien-1-ol
Synonyms
LM ID
LMFA05000118
Formula
C9H16O
Exact Mass
Calculate m/z
140.120115
Sum Composition
FOH 9:2
Status
Active
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)
FOGJPHRWJKZCAO-XVYDYJIPSA-N
InChi (Click to copy)
InChI=1S/C9H16O/c1-4-5-8(2)6-9(3)7-10/h5-6,10H,4,7H2,1-3H3/b8-5+,9-6+
SMILES (Click to copy)
OC/C(/C)=C/C(/C)=C/CC

Other Databases

CHEBI ID
195713
PubChem CID
44256514

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 167.77
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.57
Molar Refractivity 45.38

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Created at
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Updated at
28th Nov 2024