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
    3.6253   -0.5798   -0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6207   -0.5816    0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2945   -0.2240   -0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    0.0839   -1.3235 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1994   -0.2102    0.7352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    0.1534    0.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1290    0.1130    1.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9289    1.5272   -0.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4179   -0.8655   -0.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6262   -0.8421   -0.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4796   -0.3145   -1.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7459   -0.8427    1.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0362    0.6109    0.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3261   -0.9040    1.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7974    0.7166    2.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0178    1.4583   -1.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6659    2.1969    0.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0890    1.9753   -0.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1097   -0.5019   -1.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830   -1.1569   -0.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8373   -1.8122   -0.6880 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