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
    4.0818   -0.4387   -0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    0.2384   -1.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444    0.7297   -0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8199    0.1886   -0.2155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1542    0.5053    0.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1538    1.2915    1.6437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5425   -0.0551    0.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4639   -1.5716    0.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3675    0.4238    1.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2004    0.3611   -0.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3608   -0.6400    0.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6994   -0.7956   -1.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250    0.4342   -2.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5537    0.3486    0.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1137    1.8360   -0.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2595   -1.9919    1.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4791   -1.8421    1.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4950   -2.0285   -0.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7257    1.0167    2.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2192    1.0724    1.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7602   -0.4194    2.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1335   -0.2395   -0.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4632    0.1281   -1.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3832    1.4481   -0.6516 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