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
    3.7429   -0.5345    0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7343    0.2877    0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3671   -0.1734    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862   -1.3932    0.0621 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168    0.7240    0.0261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9973    0.2827   -0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4900   -0.6013    0.9621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1667   -0.4997   -1.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8915    1.5009   -0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7325   -0.1650    0.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5701   -1.5881    0.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9231    1.3484    0.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6315   -1.6523    0.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8078   -0.5740    1.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4944   -0.2488    1.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2612   -0.5706   -1.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7001   -0.0292   -2.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8099   -1.5515   -1.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8886    1.8077   -1.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4202    2.3171    0.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9137    1.3132    0.1240 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