Structure Database (LMSD)

Common Name
Propan-1-ol
Systematic Name
Propan-1-ol
Synonyms
LM ID
LMFA05000101
Status
Active
Exact Mass
Calculate m/z
60.057515
Formula
C3H8O
Abbrev
FOH 3:0
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
BDERNNFJNOPAEC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
SMILES (Click to copy)
OCCC

References

Comments
Pherobase

Other Databases

Wikipedia
Propan-1-ol
KEGG ID
C05979
HMDB ID
HMDB0000820
CHEBI ID
28831
PubChem CID
1031

Calculated Physicochemical Properties

Heavy Atoms 4
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 69.25
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 0.67
Molar Refractivity 17.87

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022