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
    4.2689    0.1054   -0.8014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0846    0.6286   -0.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9293   -0.1704   -0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769   -1.4113   -0.1263 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6757    0.3609   -0.1502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4024   -0.4889    0.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7009    0.2891    0.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7991   -0.6693    0.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0067    0.8909   -1.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1532    0.6656   -1.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3881   -0.9580   -0.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9928    1.6999   -0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1632   -0.9890    1.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4675   -1.2632   -0.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5991    1.1443    1.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7843   -0.3914    0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5288   -1.6759    0.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8963   -0.8341    1.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1338    1.4943   -1.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1798    0.0353   -1.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9075    1.5371   -0.9387 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