Monomers

tert-Butyl acrylate

Identifiers

IUPAC name
tert-butyl prop-2-enoate
InchI
InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3
InchI Key
ISXSCDLOGDJUNJ-UHFFFAOYSA-N
SMILES
C=CC(=O)OC(C)(C)C
Canonical SMILES
CC(C)(C)OC(=O)C=C
Isomeric SMILES
CC(C)(C)OC(=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
1.5141
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
    3.7516   -0.1638    0.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5837   -0.7446    0.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936   -0.0930    0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4491    1.0363   -0.4784 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167   -0.6417    0.1822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0471   -0.0311   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3274    1.3039    0.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0191    0.0890   -1.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2104   -0.9673    0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6401   -0.6730    0.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7936    0.7995   -0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360   -1.7067    1.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3487    1.6131    0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2514    1.2481    1.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6243    2.0829    0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5024    1.0149   -2.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0371    0.1262   -2.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5715   -0.7547   -2.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5671   -0.6675    1.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8370   -2.0108    0.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9952   -0.8597   -0.7129 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
  6  8  1  0
  6  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  7 13  1  0
  7 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