2-Ethyl-2-Methylpentanoic Acid

CAT: 0127-OR1027707-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1027707-01Size:100 mg

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CAS Number

5343-52-2

Synonyms

2-ethyl-2-methylpentanoic acid

Purity

98%

Smiles

CCCC(C)(CC)C(=O)O

Chemical Information

2-Ethyl-2-methylpentanoic acid

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

CAS Number	5343-52-2
PubChem CID	95300
IUPAC Name	2-ethyl-2-methylpentanoic acid
Molecular Formula	C8H16O2
Molecular Weight	144.21
XLogP	2.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	120

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

CAS: 5343-52-2

CID: 95300

Formula: C8H16O2

MW: 144.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.21
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	144.115029749
Monoisotopic Mass	144.115029749
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	120
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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OR1102732-01	2- (2-Hydroxypropanamido) -3-methylpentanoic acid
OR1005009-01	2-Hydroxy-3-methylpentanoic acid
OR1053722-01	2-Acetyl-4-methylpentanoic acid
OR1001310-01	5-Bromo-2-methylpentanoic acid

Catalog	Name
TRC-E924290-5MG	2-Ethyl-2-methylpentanoic Acid
TRC-B434578-50MG	2-Ethyl-4-methylpentanoic Acid
FAA34352-01	(2RS) -2-Ethyl-2-methylpentanoic acid
417563-01	2-Ethyl-2-methylpentanoic Acid-d3
AZA71677-01	3-Ethyl-2-methylpentanoic acid
S3314-01	2-Methylpentanoic acid
DBA89268-01	2-Hydroxy-2-methylpentanoic acid
sc-341139	2-amino-2-methylpentanoic acid
KCA30889-01	3-Ethyl-4-methylpentanoic acid
MBS9022850-01	(R)-2-Amino-2-methylpentanoic acid