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
    3.8010    0.0711   -1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8885   -0.7233   -0.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6989   -0.1593    0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5785    1.1075    0.0764 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6887   -0.8923    0.6059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4848   -0.4079    1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2866    0.3542    0.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833   -0.5224   -0.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5780    0.8956    0.7924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6721    1.1406   -1.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6921   -0.3159   -1.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0481   -1.7893   -0.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0217   -1.3051    1.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2369    0.2901    2.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6914    1.1946   -0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7644   -0.8063   -1.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2979   -1.3797   -0.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3336    0.1229   -1.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9124    1.7207    0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3968    0.1461    0.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3802    1.2581    1.8058 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