Structure Database (LMSD)

Common Name
pristanal
Systematic Name
2,6,10,14-tetramethylpentadecanal
Synonyms
LM ID
LMPR0104010012
Status
Active
Exact Mass
Calculate m/z
282.292265
Formula


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)
IZJRIIWUSIGEAJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-19H,6-14H2,1-5H3
SMILES (Click to copy)
CC(C)CCCC(C)CCCC(C)CCCC(C)C=O

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 343.41
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.26
Molar Refractivity 89.95

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Created at
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Updated at
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