Structure Database (LMSD)

Common Name
4-Methyldodecan-7-ol
Systematic Name
4-Methyldodecan-7-ol
Synonyms
LM ID
LMFA05000514
Formula
C13H28O
Exact Mass
Calculate m/z
200.214015
Sum Composition
FOH 13:0
Status
Curated
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)
OQNUQRJLHHBVTR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H28O/c1-4-6-7-9-13(14)11-10-12(3)8-5-2/h12-14H,4-11H2,1-3H3
SMILES (Click to copy)
CCCC(C)CCC(O)CCCCC

Other Databases

PubChem CID
10679552

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 242.25
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.43
Molar Refractivity 63.97

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Created at
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Updated at
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