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
    3.5243    0.6088    0.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8436    0.1796   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0857   -1.0785   -0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6986   -0.9021   -0.5423 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0291   -0.0409    0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6282    0.5502    1.2684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4351    0.1402    0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9659    1.0842    1.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6455    0.5999   -1.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0593   -1.2543    0.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0869    1.5215    0.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430    0.0565    1.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8599    0.7647   -1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2217   -1.5538    0.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288   -1.8146   -1.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3354    1.0273    2.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0054    0.8554    1.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8631    2.1242    0.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069   -0.0841   -1.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3900    1.6630   -1.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6965    0.3628   -1.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9370   -1.6678    1.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4947   -1.8893   -0.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1151   -1.2528   -0.1502 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