Structure Database (LMSD)

Common Name
beta-Citronellol
Systematic Name
Synonyms
LM ID
LMPR0102010008
Status
Active
Exact Mass
Calculate m/z
156.151415
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)
QMVPMAAFGQKVCJ-SNVBAGLBSA-N
InChi (Click to copy)
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1
SMILES (Click to copy)
[C@H](C)(CCO)CC/C=C(\C)/C

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 187.71
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.04
Molar Refractivity 50.02

Admin

Created at
-
Updated at
-