Structure Database (LMSD)

Common Name
pentadecanal
Systematic Name
pentadecanal
Synonyms
LM ID
LMFA06000083
Status
Active
Exact Mass
Calculate m/z
226.229665
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)
XGQJZNCFDLXSIJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3
SMILES (Click to copy)
C(CCCCC)CCCCCCCCC([H])=O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 274.21
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.28
Molar Refractivity 71.76

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Created at
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Updated at
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