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
    3.6298    0.7100    0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0744   -0.4828    0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7004   -0.6903    0.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2174   -1.8282    0.6491 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8978    0.3900    0.8831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390    0.3170    1.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3315   -0.3337    0.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7407   -0.3375    0.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3627    0.4487   -1.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6537    0.8422   -0.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0289    1.5700    0.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6978   -1.3457   -0.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6086   -0.1436    2.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8031    1.3822    1.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0177   -1.3702    0.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4054    0.3770    0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7546   -0.0416    1.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1794   -1.3414    0.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1888    0.0295   -1.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6283    1.5008   -0.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4405    0.3476   -1.6278 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