Structure Database (LMSD)

OH O
Common Name
2,7-dimethyl-6-octenoic acid
Systematic Name
2,7-dimethyl-6-octenoic acid
Synonyms
LM ID
LMFA01020129
Formula
C10H18O2
Exact Mass
Calculate m/z
170.13068
Sum Composition
FA 10:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
VKYRDDIUSBRMFK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-8(2)6-4-5-7-9(3)10(11)12/h6,9H,4-5,7H2,1-3H3,(H,11,12)
SMILES (Click to copy)
C/C(/C)=C/CCCC(C)C(=O)O

References

Other Databases

CHEBI ID
180247
LIPIDBANK ID
DFA7097
PubChem CID
5282668

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 193.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.84
Molar Refractivity 50.08

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Updated at
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