Structure Database (LMSD)

Common Name
3,7-Dimethyl-2E,6-octadienyl acetate
Systematic Name
3,7-Dimethyl-2E,6-octadienyl acetate
Synonyms
LM ID
LMFA07010189
Status
Active
Exact Mass
Calculate m/z
196.14633
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
HIGQPQRQIQDZMP-DHZHZOJOSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
SMILES (Click to copy)
O(C(=O)C)C/C=C(\C)/CC/C=C(\C)/C

References

Comments
Pherobase

Other Databases

KEGG ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 225.82
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.53
Molar Refractivity 59.55

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Created at
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Updated at
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