Structure Database (LMSD)

Common Name
Citronellyl formate
Systematic Name
Synonyms
LM ID
LMPR0102010014
Status
Active
Exact Mass
Calculate m/z
184.14633
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)
DZNVIZQPWLDQHI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3
SMILES (Click to copy)
C/C(/C)=C/CCC(C)CCOC=O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 211.16
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.22
Molar Refractivity 54.95

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Created at
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Updated at
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