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2-Ethyl-2-methylpentanoic Acid

CAT: 0572-TRC-E924290-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E924290-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5343-52-2
Synonyms
2-Ethyl-2-methylpentanoic acid; Valeric acid, 2-ethyl-2-methyl- (6CI,8CI); 2-Ethyl-2-methylpentanoic acid; 2-Methyl-2-ethylpentanoic acid; NSC 466; α-Ethyl-α-methylvaleric acid; α-Methyl-α-ethylvaleric acid; (2RS)-2-Ethyl-2-methylpentanoic Acid; alpha-Ethyl-alpha-methylvaleric acid; alpha-Methyl-alpha-ethylvaleric acid
Hazard Statement
Causes skin irritation
Purity
>95% (GC)
Smiles
CCCC(C)(CC)C(=O)O
Molecular Formula
C8 H16 O2
Molecular Weight
144.21
InChI
InChI=1S/C8H16O2/c1-4-6-8(3,5-2)7(9)10/h4-6H2,1-3H3,(H,9,10)
Additionnal Information
IUPAC name: 2-ethyl-2-methylpentanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Ethyl-2-methylpentanoic acid

2-ethyl-2-methyl valeric ccid is a methyl-branched fatty acid.

CAS Number5343-52-2
PubChem CID95300
IUPAC Name2-ethyl-2-methylpentanoic acid
Molecular FormulaC8H16O2
Molecular Weight144.21
XLogP2.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity120
SMILES
CCCC(C)(CC)C(=O)O
InChI
InChI=1S/C8H16O2/c1-4-6-8(3,5-2)7(9)10/h4-6H2,1-3H3,(H,9,10)
InChIKey
WUWPVNVBYOKSSZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl-2-methylpentanoic acid
CAS: 5343-52-2
CID: 95300
Formula: C8H16O2
MW: 144.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.21
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass144.115029749
Monoisotopic Mass144.115029749
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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