Structure Database (LMSD)

Common Name
2-hexyl-2-decenoic acid
Systematic Name
2-hexyl-2-decenoic acid
Synonyms
LM ID
LMFA01020141
Formula
Exact Mass
Calculate m/z
254.22458
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
ZXZOWWGAPUWGNK-CCEZHUSRSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h14H,3-13H2,1-2H3,(H,17,18)/b15-14+
SMILES (Click to copy)
CCCCCCC/C=C(\CCCCCC)/C(=O)O

Other Databases

CHEBI ID
LIPIDBANK ID
DFA7109
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 297.66
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.33
Molar Refractivity 77.85

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Created at
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Updated at
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