Structure Database (LMSD)

Common Name
Farnesyl acetate
Systematic Name
3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate
Synonyms
LM ID
LMFA07010230
Formula
Exact Mass
Calculate m/z
264.20893
Sum Composition
Status
Curated



Classification

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Erethizon dorsatum (#34844)
Mammalia (#40674)
Warning Odor of the North American Porcupine (Erethizon dorsatum),
J Chem Ecol, 1997
Synaptus filiformis (#1588603)
Insecta (#50557)
Identification of female-produced sex pheromones and their geographical differences in pheromone gland extract composition from click beetles (Col., Elateridae),
J Appl Entomol, 1996

String Representations

InChiKey (Click to copy)
ZGIGZINMAOQWLX-NCZFFCEISA-N
InChi (Click to copy)
InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
SMILES (Click to copy)
O(C(=O)C)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 309.68
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.25
Molar Refractivity 82.54

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Created at
-
Updated at
13th Dec 2024