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
    3.8643   -1.1197   -0.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9343   -0.6772    0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7114   -0.0185   -0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5235    0.1392   -1.4304 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7388    0.4431    0.6686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4459    1.0754    0.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3390    0.2364   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5707    1.0808   -0.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7486   -1.0512    0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375   -1.5913   -0.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448   -1.0061   -1.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793   -0.8046    1.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9721    1.4166    1.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2573    2.0274   -0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8080    0.0339   -1.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2260    1.9119   -1.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3841    0.5063   -1.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9383    1.5390    0.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9774   -1.4795    0.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6806   -0.8728    0.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9860   -1.7890   -0.7285 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