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2-Methyl-4-pentenoic Acid

CAT: 0013-GTR19166098-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19166098-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Methylpent-4-enoic acid is a branched-chain unsaturated fatty acid. It serves as a useful synthetic intermediate in organic chemistry and has been investigated in research related to metabolic studies and the synthesis of bioactive compounds.
CAS Number
1575-74-2
Product Name Alternative
2 Methyl 4 pentenoic Acid, 2Methyl4pentenoic Acid, 2-Methyl-4-pentenoic Acid, 2-Methylpent-4-enoic acid, inhibit, Inhibitor
Purity
97.19% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (17.52 mM) ; DMSO:22.5 mg/mL (197.13 mM)
Smiles
CC (CC=C) C (O) =O
Molecular Formula
C6H10O2
Molecular Weight
114.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Methyl-4-pentenoic acid

2-Methyl-4-pentenoic acid is a branched-chain fatty acid.

CAS Number1575-74-2
PubChem CID549519
IUPAC Name2-methylpent-4-enoic acid
Molecular FormulaC6H10O2
Molecular Weight114.14
XLogP1.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity96
SMILES
CC(CC=C)C(=O)O
InChI
InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
InChIKey
HVRZYSHVZOELOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-4-pentenoic acid
CAS: 1575-74-2
CID: 549519
Formula: C6H10O2
MW: 114.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.14
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass114.068079557
Monoisotopic Mass114.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity96.7
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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