Structure database (LMSD)

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LM IDLMFA01020248
Common NameFarnesylic acid
Systematic Name3,7,11-trimethyl-dodecanoic acid
SynonymsDodecanoic acid, 3,7,11-trimethyl-; 3,7,11-Trimethyldodecanoic acid;
Farnesanoic acid; Farnesylic acid, hexahydro-
Exact Mass
242.2246 (neutral)    Calculate m/z:
FormulaC15H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
AbbrevFA 15:0
LIPIDAT ID1668
PubChem CID192736
InChIKeyXXCXRVNSUQAYMM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H30O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h12-14H,5-11H2,1-4H3,(H,16,17)
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SMILES
C(CC(C)CCCC(C)CCCC(C)C)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
283.00Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.73Molar
Refractivity
73.12