Monomers

Isobutyl acrylate

Identifiers

IUPAC name
2-methylpropyl prop-2-enoate
InchI
InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3
InchI Key
CFVWNXQPGQOHRJ-UHFFFAOYSA-N
SMILES
C=CC(=O)OCC(C)C
Canonical SMILES
CC(C)COC(=O)C=C
Isomeric SMILES
CC(C)COC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.3716
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 21 20  0  0  0  0  0  0  0  0999 V2000
    3.5521   -0.7685   -0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9558   -0.0080    0.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6045    0.5478    0.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0722    1.2658    1.4744 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9477    0.2675   -0.5737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3343    0.7615   -0.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3045    0.2378    0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7205    0.7537   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3832   -1.2781   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5273   -1.1541    0.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -1.0088   -0.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4365    0.2349    1.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6366    0.2876   -1.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3609    1.8685   -0.9356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0633    0.4678    1.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770    1.8454   -0.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3528    0.3520    0.7086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1103    0.3235   -1.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8385   -1.6037   -0.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4179   -1.6451   -0.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8714   -1.7474    0.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers