Structure Database (LMSD)

O O
Common Name
7-Methyloctyl 5-methylhexanoate
Systematic Name
7-Methyloctyl 5-methylhexanoate
Synonyms
  • WE(8:0(7Me)/6:0(5Me))
LM ID
LMFA07010600
Formula
C16H32O2
Exact Mass
Calculate m/z
256.24023
Sum Composition
WE 16:0
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)
BPHQSJWFIXIDDC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O2/c1-14(2)10-7-5-6-8-13-18-16(17)12-9-11-15(3)4/h14-15H,5-13H2,1-4H3
SMILES (Click to copy)
O=C(CCCC(C)C)OCCCCCCC(C)C

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
179734
PubChem CID
56936009

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 300.30
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.25
Molar Refractivity 78.06

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Updated at
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