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
    3.8135    0.2515    0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7351    0.1178    0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340    0.0850    0.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3529    0.1855   -1.0779 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2762   -0.0534    0.8949 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138   -0.0927    0.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3673    1.1793   -0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2815   -1.3246   -0.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -0.1104    1.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7053    0.3356   -1.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8194    0.2797    0.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8598    0.0347    1.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2457    0.9045   -1.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6120    1.9818    0.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5715    1.5164   -1.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6541   -2.1232    0.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3693   -1.7226   -0.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0550   -1.1461   -1.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9544    0.8765    2.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0103   -0.2103    1.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8530   -0.9649    2.1921 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