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
    3.5945   -1.0523    0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0771    0.0323   -0.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7407    0.5151   -0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3386    1.5631   -0.7103 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8636   -0.1155    0.7128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4235    0.3306    1.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184    0.4102   -0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4606   -0.9639   -0.8596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7016    0.8372    0.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5851   -1.3577   -0.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0425   -1.6805    0.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6791    0.5983   -1.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995   -0.3846    1.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4545    1.3187    1.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9535    1.0953   -0.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3351   -1.4757   -0.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5675   -0.8786   -1.9614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5782   -1.5958   -0.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6748    1.2203    1.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4247   -0.0154    0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1294    1.5990   -0.4621 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