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
    3.4906    0.0025    1.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3615    0.2744    0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0750    0.2280   -0.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9635    0.4912   -1.6248 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8910   -0.1087    0.2523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3562   -0.1428   -0.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4894   -0.5259    0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7627   -0.5394   -0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6934    0.5381    1.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6369   -0.2700    2.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4385    0.0437    2.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2230    0.5464   -0.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5137    0.9054   -0.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3100   -0.7689   -1.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3230   -1.4991    0.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0076   -1.5692   -0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6473   -0.2146    0.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7226    0.1860   -1.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6273    0.2845    2.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8233    0.6293    2.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8036    1.5092    0.9537 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