Structure Database (LMSD)

Common Name
Pentyl acetate
Systematic Name
Pentyl acetate
Synonyms
LM ID
LMFA07010176
Status
Active
Exact Mass
Calculate m/z
130.09938
Formula
Abbrev



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)
PGMYKACGEOXYJE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
SMILES (Click to copy)
O(C(=O)C)CCCCC

References

Comments
Pherobase

Other Databases

Wikipedia
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 144.60
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.02
Molar Refractivity 36.65

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Updated at
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