Structure Database (LMSD)

Common Name
2-dodecenal
Systematic Name
2-dodecenal
Synonyms
LM ID
LMFA06000072
Formula
C12H22O
Exact Mass
Calculate m/z
182.167065
Sum Composition
FAL 12:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
SSNZFFBDIMUILS-ZHACJKMWSA-N
InChi (Click to copy)
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+
SMILES (Click to copy)
C(CC)CCCCCC/C=C/C([H])=O

Other Databases

HMDB ID
HMDB0031020
CHEBI ID
133741
PubChem CID
5283361

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 219.67
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.88
Molar Refractivity 57.81

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Created at
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Updated at
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