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
    4.0107   -0.0729    0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0055    0.6819    0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7108    0.0937   -0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5076   -1.1465    0.0066 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6321    0.8562   -0.5193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6238    0.3382   -0.8364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2962   -0.3765    0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6484   -0.8704   -0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6271    0.5924    1.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9733    0.3222    0.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9128   -1.1587    0.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1853    1.7415    0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2776    1.1915   -1.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6099   -0.3429   -1.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7120   -1.1896    0.7377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0624   -0.1234   -0.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169   -1.8146   -0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3438   -1.0962    0.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3731    0.0596    2.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7311    0.8122    2.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1156    1.5024    1.0612 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