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2,2-Dimethylpentanoic acid

CAT: 0931-TN9677-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9677-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185-39-3
Target
Others
Related Pathways
Others
Purity
0.998
Bioactivity
2,2-Dimethylpentanoic acid is a carboxylic acid widely used in biochemical experiments and drug synthesis research.
Smiles
O=C(O)C(C)(C)CCC
Molecular Formula
C7H14O2
Molecular Weight
130.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,2-Dimethylpentanoic acid

Alpha,alpha-dimethyl valeric acid is a methyl-branched fatty acid.

CAS Number1185-39-3
PubChem CID14455
IUPAC Name2,2-dimethylpentanoic acid
Molecular FormulaC7H14O2
Molecular Weight130.18
XLogP2.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity105
SMILES
CCCC(C)(C)C(=O)O
InChI
InChI=1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKey
ZRYCZAWRXHAAPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Dimethylpentanoic acid
CAS: 1185-39-3
CID: 14455
Formula: C7H14O2
MW: 130.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.18
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass130.099379685
Monoisotopic Mass130.099379685
Topological Polar Surface Area37.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity105
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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