Structure database (LMSD)

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LM IDLMFA01020419
Common Name10,16-dimethyl-heptadecanoic acid
Systematic Name10,16-dimethylheptadecanoic acid
Synonyms17:0 (10,16-diMe)
Exact Mass
298.2872 (neutral)    Calculate m/z:
FormulaC19H38O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
AbbrevFA 19:0
PubChem CID129853995
InChIKeyRJHMLGHUQWBDBR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H38O2/c1-17(2)13-9-8-11-15-18(3)14-10-6-4-5-7-12-16-19(20)21/h17-18H,4-16H2,1-3H3,(H,20,21)
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SMILES
C(CCCCCCCCC(C)CCCCCC(C)C)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
352.20Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.43Molar
Refractivity
91.66