Structure database (LMSD)

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LM IDLMFA07010511
Common Nameethyl 3-methyl-butanoate
Systematic Nameethyl 3-methyl-butanoate
SynonymsWE(2:0/4:0(3Me))
Exact Mass
130.0994 (neutral)    Calculate m/z:
FormulaC7H14O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesBranched fatty acids[FA0102]
AbbrevWE 7:0
PubChem CID7945
KEGG IDC12290
HMDB IDHMDB0030028
CHEBI ID31571
InChIKeyPPXUHEORWJQRHJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3
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SMILES
O=C(CC(C)C)OCC
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MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
144.60Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP1.88Molar
Refractivity
36.58