Structure Database (LMSD)

Common Name
9,10-dioxo-octadecanoic acid
Systematic Name
9,10-dioxo-octadecanoic acid
Synonyms
LM ID
LMFA02000264
Formula
Exact Mass
Calculate m/z
312.23006
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
UCJSYDRGZVWHJS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h2-15H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCCCCCCC(=O)C(=O)CCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
3196
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 347.20
Topological Polar Surface Area 71.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.69
Molar Refractivity 87.96

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Created at
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Updated at
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