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
    3.2426   -0.2679    1.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8845   -0.1628   -0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4676   -0.0602   -0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1644    0.0383   -1.7100 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4534   -0.0634    0.4136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9189    0.0354    0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1543    1.3452   -0.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8058   -0.0141    1.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3598   -1.0622   -0.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5214   -0.2811    1.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2790   -0.3464    1.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6571   -0.1562   -0.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6359    2.1790   -0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7840    1.3291   -1.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2424    1.5773   -0.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0698   -1.0756    1.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7755    0.4884    1.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3643    0.4054    2.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4887   -1.0133   -0.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0452   -0.8254   -1.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0256   -2.0694   -0.5098 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