Structure Database (LMSD)

Common Name
Dodecan-2R-ol
Systematic Name
Dodecan-2R-ol
Synonyms
LM ID
LMFA05000516
Formula
C12H26O
Exact Mass
Calculate m/z
186.198365
Sum Composition
FOH 12:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
XSWSEQPWKOWORN-GFCCVEGCSA-N
InChi (Click to copy)
InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3/t12-/m1/s1
SMILES (Click to copy)
C[C@@H](O)CCCCCCCCCC

Other Databases

PubChem CID
11309961

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 224.95
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.18
Molar Refractivity 59.42

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Created at
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Updated at
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