Structure Database (LMSD)

Common Name
5-pentylresorcinol
Systematic Name
5-pentylbenzene-1,3-diol
Synonyms
LM ID
LMPK15030008
Status
Active
Exact Mass
Calculate m/z
180.11503
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
IRMPFYJSHJGOPE-UHFFFAOYSA-N
InChi (Click to copy)
1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCC)C=C(O)C=1

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 1
Aromatic Rings 1
Rotatable Bonds 4
Van der Waals Molecular Volume 185.26
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 2.83
Molar Refractivity 53.00

Admin

Created at
-
Updated at
-