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
    3.5359    0.3381   -1.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6799    0.6790   -0.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3206    0.1931   -0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344   -0.5467   -1.3621 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3511    0.5165    0.5292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9698    0.0278    0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0411   -1.4741    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6574    0.5514   -0.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6994    0.5166    1.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5563    0.6822   -1.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2393   -0.2887   -2.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0224    1.3169    0.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2386   -1.9341    1.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0856   -1.8958   -0.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0044   -1.7601    0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7619    0.4534   -0.6637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3355   -0.0676   -1.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3614    1.6099   -1.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6672    1.6259    1.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1062    0.1362    2.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7114    0.1039    1.7235 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