Structure database (LMSD)

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LM IDLMFA01020162
Common Name3-methyl-tetradecanoic acid
Systematic Name3-methyl-tetradecanoic acid
Synonyms-
Exact Mass
242.2246 (neutral)    Calculate m/z:
FormulaC15H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
LIPIDBANK IDDFA7130
PubChem CID5282691
InChIKeyMMLCLKVIHVRDLL-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-14(2)13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
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SMILES
C(CCCC)CCCCCCC(C)CC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
283.00Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.02Molar
Refractivity
73.26