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
    3.6816   -0.6346    0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6681   -1.4545    0.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3281   -1.2031    0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4264   -2.0362    0.3336 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0171   -0.0956   -0.7096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2977    0.1001   -1.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3362    0.2392   -0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6783    0.4433   -0.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1249    1.4244    0.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6753   -0.8175    0.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4751    0.2453   -0.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -2.3298    1.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5499   -0.8474   -1.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3402    0.9427   -1.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4126   -0.6513    0.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7462    1.4513   -1.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5048    0.3369   -0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8041   -0.2873   -1.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6387    2.3042    0.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0598    1.6462    0.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6473    1.2237    1.7417 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