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
    3.5605   -0.2743   -0.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733    0.4693    0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9047    0.6035    0.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6637    1.3331    1.8398 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8561   -0.0553    0.2038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4406    0.1275    0.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4865   -0.6431   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4682   -0.1513   -1.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8412   -0.2137    0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5787   -0.3582   -1.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7811   -0.8089   -1.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0724    0.9889    0.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4257   -0.3043    1.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6737    1.2019    0.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3868   -1.7216    0.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5123   -0.3092   -1.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3255   -0.6210   -1.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6989    0.9465   -1.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6515   -0.5078   -0.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8027    0.9137    0.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9769   -0.6157    1.5604 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