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
    3.2770   -0.8638    0.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4832   -1.4374   -0.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0803   -1.0304   -0.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3226   -1.5790   -1.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309   -0.0221    0.2277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8022    0.4102    0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8099   -0.6655    0.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069    0.9637   -1.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0119    1.5581    1.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3009   -1.1412    0.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8640   -0.0810    1.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913   -2.2191   -1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7703   -0.3762   -0.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5142   -1.6660    0.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0848   -0.7043    1.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5692    0.1396   -1.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7981    1.8399   -1.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1528    1.3056   -1.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0925    1.7907    1.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4743    2.4613    0.6967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5629    1.3168    2.0732 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