Structure Database (LMSD)

Common Name
Butan-1-ol
Systematic Name
Butan-1-ol
Synonyms
LM ID
LMFA05000109
Formula
Exact Mass
Calculate m/z
74.073165
Sum Composition
Status
Active


Main

Classification

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
LRHPLDYGYMQRHN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
SMILES (Click to copy)
OCCCC

References

Comments
Pherobase

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PDB ID

Calculated Physicochemical Properties

Heavy Atoms 5
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 86.55
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 1.06
Molar Refractivity 22.48

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022