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
    3.6774    0.2719    0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556   -0.7028   -0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8392   -0.9930   -0.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4948   -1.9270   -1.3955 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8534   -0.2687    0.0485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4773   -0.6242   -0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4597    0.2048    0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8566   -0.3234    0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    1.6585    0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7373    0.4599    0.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9556    0.8418    0.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9611   -1.3016   -1.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7384   -0.5956   -1.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6406   -1.6841    0.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3550    0.0615    1.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5807    0.4148    0.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9726   -1.3323    0.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8748   -0.3663   -0.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7926    1.8982   -0.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1221    2.2611    1.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4626    2.0465   -0.0480 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