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
    4.1698   -0.7164    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1854   -0.4209   -0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1776    0.6053   -0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9166   -0.0548   -0.2622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2365    0.6520    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1009    1.8697    0.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5770    0.0596    0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6993   -1.0793    1.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5535    1.1247    0.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8872   -0.4160   -1.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8827   -1.4807   -0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2432   -0.2157    1.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0591   -0.8912   -1.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2067    1.4368   -1.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3855    1.0333    0.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3748   -0.8421    1.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6912   -1.2366    1.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0852   -2.0027    0.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1639    1.5225    1.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5421    0.6755    0.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6235    1.9558   -0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0777   -1.1356   -1.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7497    0.4545   -1.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8640   -0.8976   -1.4010 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