Structure Database (LMSD)

Common Name
trans-13-methyltetradec-2-enal
Systematic Name
(2E)-13-methyltetradec-2-enal
Synonyms
  • (E)-13-methyltetradec-2-enal
  • (E)-isopentadec-2-enal
  • trans-isopentadec-2-enal
LM ID
LMFA06000261
Status
Active
Exact Mass
Calculate m/z
224.214015
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)
XCQVBFWYULNOQE-ZRDIBKRKSA-N
InChi (Click to copy)
InChI=1S/C15H28O/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h10,12,14-15H,3-9,11,13H2,1-2H3/b12-10+
SMILES (Click to copy)
C(=C/CCCCCCCCCC(C)C)\C([H])=O

References

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 271.57
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.91
Molar Refractivity 71.60

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Created at
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Updated at
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