Structure Database (LMSD)

OH
Common Name
3-Methylpentan-1-ol
Systematic Name
3-Methylpentan-1-ol
Synonyms
LM ID
LMFA05000111
Formula
C6H14O
Exact Mass
Calculate m/z
102.104465
Sum Composition
FOH 6:0
Status
Active
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Main

Classification

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

String Representations

InChiKey (Click to copy)
IWTBVKIGCDZRPL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3
SMILES (Click to copy)
OCCC(C)CC

References

Comments
Pherobase

Other Databases

Wikipedia
3-Methylpentan-1-ol
HMDB ID
HMDB0033676
CHEBI ID
87381
PubChem CID
11508

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 121.15
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 1.70
Molar Refractivity 31.65

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Created at
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Updated at
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