Structure Database (LMSD)

Common Name
pentadecanal
Systematic Name
pentadecanal
Synonyms
LM ID
LMFA06000083
Formula
Exact Mass
Calculate m/z
226.229665
Sum Composition
Status
Active


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

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

Admin

Created at
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Updated at
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