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
    3.4798    1.2929   -0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0393    0.1811   -0.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7662   -0.4171   -0.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3939   -1.4873   -1.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9465    0.1332    0.4601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2784   -0.3801    0.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2913   -0.4939   -0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5913   -1.0539    0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6101    0.9032   -0.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4083    1.7069   -0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8980    1.7813    0.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310   -0.3107   -1.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069   -1.3657    1.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6824    0.3212    1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9116   -1.1115   -1.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8043   -0.6072    1.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4378   -0.7067   -0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6174   -2.1515    0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6478    0.9654   -1.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5854    1.5656    0.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8984    1.2349   -1.5201 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