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
    3.9043   -0.6493    0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958   -1.0133   -0.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7041   -0.1631   -0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6406    0.8864    0.3430 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5938   -0.4483   -1.1133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5663    0.3293   -1.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2619    0.4923    0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6825   -0.8418    0.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5399    1.2781   -0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8595    0.2553    1.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8078   -1.2652    0.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9719   -1.9178   -0.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2789   -0.2277   -1.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4268    1.3167   -1.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757    1.0229    0.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8086   -1.2654    1.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9840   -1.5306   -0.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5103   -0.7043    1.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0978    1.4450    0.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3499    2.2684   -0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1952    0.7324   -0.8345 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