Structure Database (LMSD)

Common Name
2E-Heptenyl acetate
Systematic Name
2E-Heptenyl acetate
Synonyms
LM ID
LMFA07010185
Status
Active
Exact Mass
Calculate m/z
156.11503
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)
AWCPMVVOGVEPRC-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h6-7H,3-5,8H2,1-2H3/b7-6+
SMILES (Click to copy)
O(C(=O)C)C/C=C/CCCC

References

Comments
Pherobase

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 176.56
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.58
Molar Refractivity 45.79

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Created at
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Updated at
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