Structure Database (LMSD)

Common Name
4-Methylhexadecan-7-ol
Systematic Name
4-Methylhexadecan-7-ol
Synonyms
LM ID
LMFA05000527
Formula
C17H36O
Exact Mass
Calculate m/z
256.276615
Sum Composition
FOH 17:0
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)
OHRJXSIOKJTNKF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H36O/c1-4-6-7-8-9-10-11-13-17(18)15-14-16(3)12-5-2/h16-18H,4-15H2,1-3H3
SMILES (Click to copy)
CCCC(C)CCC(O)CCCCCCCCC

Other Databases

PubChem CID
56935893

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 311.45
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.99
Molar Refractivity 82.43

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Created at
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Updated at
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