Structure Database (LMSD)

Common Name
3,4,7-Trimethyl-2E,6-nonadien-1-ol
Systematic Name
3,4,7-Trimethyl-2E,6-nonadien-1-ol
Synonyms
LM ID
LMFA05000132
Formula
C12H22O
Exact Mass
Calculate m/z
182.167065
Sum Composition
FOH 12:2
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
Holcoponera striatula (#121880)
Insecta (#50557)
Identification of new homoterpene esters from Dufour's gland of the ponerine ant Gnamptogenys striatula.,
J Chem Ecol, 2002
Pubmed ID: 12564799

String Representations

InChiKey (Click to copy)
MBJNLCTZRSETAT-ANGAUAEMSA-N
InChi (Click to copy)
InChI=1S/C12H22O/c1-5-10(2)6-7-11(3)12(4)8-9-13/h6,8,11,13H,5,7,9H2,1-4H3/b10-6+,12-8+
SMILES (Click to copy)
OC/C=C(\C)/C(C)C/C=C(\C)/CC

Other Databases

PubChem CID
22765385

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 219.67
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.59
Molar Refractivity 59.16

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Created at
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Updated at
28th Nov 2024