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
    4.2052    0.2407   -1.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1108    0.6720   -0.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9028   -0.1797   -0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9282   -1.2858   -1.1743 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7094    0.2261   -0.0257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4189   -0.6171   -0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6281   -0.0430    0.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7863   -0.9819    0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9229    1.3237    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2604   -0.7141   -1.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1020    0.8394   -1.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0798    1.6229   -0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1794   -1.5785    0.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566   -0.8165   -1.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4432    0.1024    1.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5144   -1.8667   -0.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966   -1.4108    1.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6727   -0.5306   -0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0010    1.5304    0.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3263    2.0648    0.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6522    1.4022   -1.0725 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