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
    3.6841   -0.1649   -0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5243   -0.0538   -0.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3026   -0.0427   -0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3779   -0.1415    1.1272 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0493    0.0733   -0.7161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0786    0.0729    0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1046   -1.2409    0.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3716    0.1280   -0.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9746    1.2602    1.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325   -0.2491    0.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6352   -0.1800   -0.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4654    0.0303   -1.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1445   -1.6446    0.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4973   -2.0238    0.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7413   -1.1112    1.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6081    1.2064   -0.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2361   -0.4125   -1.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1550   -0.3108    0.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1898    1.0213    2.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6981    2.0232    0.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0282    1.7603    0.9860 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