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
    3.6833    0.7778   -0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0819   -0.3029   -0.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7120   -0.6515   -0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2273   -1.6933   -0.7592 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9053    0.0903    0.5760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4149   -0.2294    0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3400   -0.3019   -0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201    1.0127   -1.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7422   -0.5698    0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6872    1.0391   -0.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1337    1.4331    0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304   -0.9545   -1.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5324   -1.1493    1.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7967    0.6008    1.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0665   -1.0825   -0.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510    1.1810   -1.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6329    1.8501   -0.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3055    0.9375   -1.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0641    0.2598    0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4649   -0.7604   -0.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7299   -1.4867    0.8909 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