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
    3.5567    1.1531    0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9559    0.1823   -0.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3072   -0.9180    0.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9232   -1.0237    0.1544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0229    0.0001    0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4910    1.0480    0.9252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4227   -0.0917    0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7139   -0.3249   -1.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0644    1.2115    0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0889   -1.1856    0.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0536    1.9929   -0.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5587    1.1170    1.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    0.2384   -1.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7621   -1.8723    0.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435   -0.8563    1.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5430   -1.3847   -1.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7805   -0.0542   -1.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0662    0.3198   -1.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4220    1.6917    1.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0510    1.0489    1.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1764    1.9158   -0.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9874   -2.1782    0.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6662   -1.1404    1.9888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1580   -0.8896    1.0620 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