Monomers

2-Propenyl trimethylacetate

Identifiers

IUPAC name
prop-2-enyl 2,2-dimethylpropanoate
InchI
InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3
InchI Key
GVVKBARIYRBZHC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(C)(C)C
Canonical SMILES
CC(C)(C)C(=O)OCC=C
Isomeric SMILES
CC(C)(C)C(=O)OCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
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

 24 23  0  0  0  0  0  0  0  0999 V2000
    3.7208    0.0665   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8057    0.8168   -0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9115    0.2101   -1.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5428    0.3135   -1.2480 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0559   -0.2454   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -0.8482    0.6495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3417   -0.1706    0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5447   -0.8791    1.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3081   -0.7617   -0.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7712    1.2783    0.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4139    0.4609    0.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353   -0.9931   -0.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659    1.8638   -0.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103    0.8291   -2.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2206   -0.8166   -1.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1951   -1.9344    1.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9536   -0.3530    2.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6094   -0.8808    1.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4995   -0.0994   -1.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0473   -1.7667   -0.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2947   -0.8416   -0.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4608    1.8576   -0.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2812    1.6171    1.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8597    1.2769    0.6623 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 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
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers