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
C15H28O
Abbrev
FAL 15:1
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

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
70995
PubChem CID
11333582
SwissLipids ID
SLM:000000259

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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Updated at
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