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
    3.3182    0.7079    0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8504   -0.5068    0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4213   -0.7568    0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9327   -1.8982    0.2976 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980    0.2632   -0.0133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8847    0.0766   -0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3996   -0.8282   -1.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4492   -0.3605    1.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4620    1.4591   -0.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6228    1.5444   -0.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3613    0.9665    0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125   -1.3416    0.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4589   -1.0671   -0.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448   -0.3158   -2.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8877   -1.7993   -1.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6694   -0.7007    2.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1703   -1.2006    1.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0073    0.4519    1.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9789    2.1416    0.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5531    1.4370   -0.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1512    1.7277   -1.3446 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