2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctanoic acid
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2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctanoic acid
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CAS No:
54680-48-7
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Formula:
C18H36O2
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Chemical Name:
2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctanoic acid
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Synonyms:
54680-48-7;2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctanoic acid;2,2,4,8,10,10-Hexamethylundecane-5-carboxylic Acid;Octanoic acid, 5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)-;Isostearic Acid (=2,2,4,8,10,10-Hexamethylundecane-5-carboxylic Acid);NSC83185;NCIOpen2_005205;SCHEMBL96140;DTXSID60292489;STR02734;ANW-41613;MFCD00135620;NSC-83185;AKOS015893952;I0184;2-(4,4-Dimethyl-2-pentyl)-5,7,7-trimethyl-n-octanoic Acid
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CAS No:
2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctanoic acid Basic Attributes
284.5 g/mol
284.271530387 g/mol
83185
DTXSID60292489
Safety Information
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:284.5
XLogP3:6.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:284.271530387
Monoisotopic Mass:284.271530387
Topological Polar Surface Area:37.3
Heavy Atom Count:20
Complexity:294
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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