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
    3.7683    1.0143   -0.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7923    0.9243    0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6246    0.0751    0.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5909   -0.5817   -0.9063 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6440    0.0321    1.1332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4877   -0.7801    0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2974   -0.4037   -0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4956   -1.3251   -0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7029    1.0454   -0.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6190    1.6482   -0.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7131    0.4427   -1.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    1.5083    1.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794   -0.7941    1.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0895   -1.8256    0.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6917   -0.5683   -1.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4954   -2.0443    0.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034   -1.9002   -1.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4047   -0.6916   -0.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4149    1.2125   -1.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1799    1.3597    0.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7763    1.6520   -0.3927 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