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
    3.7766   -0.3767    0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7255    0.4063    0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4133   -0.1769    0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1852   -1.4081    0.1917 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3152    0.6485   -0.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0226    0.2066   -0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3694   -0.5142    1.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8734    1.4775   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3642   -0.6926   -1.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534   -1.4478    0.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7893    0.0064    0.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8505    1.4632   -0.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3980   -1.6014    1.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6130   -0.2878    2.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3777   -0.2025    1.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7196    2.0790   -0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6031    2.0123    0.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9345    1.1747    0.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4820   -0.6406   -1.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1042   -1.7360   -0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8473   -0.3901   -2.0976 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