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
    3.9318   -0.8028   -0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0117   -0.1176    0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7074    0.1565   -0.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4471   -0.2634   -1.5304 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7220    0.8842    0.2711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5311    1.1772   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3394   -0.0533   -0.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6002   -0.9073    0.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7041    0.4516   -1.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900   -1.1996   -1.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8800   -0.9970    0.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1848    0.2665    1.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    1.8820   -1.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1179    1.7134    0.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8609   -0.6917   -1.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6815   -0.2509    1.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5387   -1.4870    0.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7234   -1.5837    0.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2761   -0.3458   -1.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2490    0.8531   -0.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5560    1.3154   -1.7853 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