Structure Database (LMSD)

O O
Common Name
2-Pentyl 3-methylbutanoate
Systematic Name
2-Pentyl 3-methylbutanoate
Synonyms
  • WE(4:0(1Me)/4:0(3Me))
LM ID
LMFA07010654
Formula
C10H20O2
Exact Mass
Calculate m/z
172.14633
Sum Composition
WE 10:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
DUJBVANUBSYWGF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O2/c1-5-6-9(4)12-10(11)7-8(2)3/h8-9H,5-7H2,1-4H3
SMILES (Click to copy)
O=C(CC(C)C)OC(C)CCC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
179556
PubChem CID
529497

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 196.50
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.05
Molar Refractivity 50.43

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Created at
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Updated at
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