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
    3.6300   -0.9141   -0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1186    0.1701    0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7505    0.6089    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2611    1.6413    0.5300 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987   -0.0940   -0.8442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4105    0.2616   -1.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3421    0.3280    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5015   -0.9565    0.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7248    0.6939   -0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0283   -1.5068   -0.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6373   -1.2361   -0.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6983    0.7841    0.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4919    1.2303   -1.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8060   -0.5295   -1.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0076    1.1177    0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5592   -1.1361    1.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1603   -1.8455    0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9274   -0.9636    1.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4702    0.7356    0.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6122    1.6874   -1.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0092   -0.0768   -1.2875 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