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
    3.7969   -0.1305    0.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7291   -0.5212    0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725    0.3791   -0.8364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8372    0.6805   -0.4963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0767   -0.3517   -0.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2670   -1.5177   -0.6363 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4935    0.0161   -0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3344   -1.2311   -0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9797    0.9552   -1.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4277    0.6322    1.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2628    0.8385    0.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2471   -0.7470    1.6651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3176   -1.4757    0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2402   -0.0929   -1.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7180    1.3454   -0.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145   -1.0104    0.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7021   -1.4703   -1.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8075   -2.0780    0.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8631    1.5586   -0.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3051    0.3249   -1.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1506    1.6002   -1.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3564    1.7237    1.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3258    0.3672    1.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5511    0.2049    1.8886 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