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
    3.5382   -0.0327    0.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9057    0.5261   -0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2577   -0.3173   -1.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8476   -0.0457   -1.1050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0282   -0.2292   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5672   -0.6421    1.0429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4254    0.0246    0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0371   -0.8918   -1.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9941   -0.3491    1.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7713    1.4649   -0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5736   -1.1120    1.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0168    0.5912    1.7557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8677    1.5908   -0.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736   -1.3956   -0.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7313   -0.1146   -2.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3716   -0.7882   -1.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0781   -0.5926   -1.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483   -1.9303   -0.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6057    0.3730    2.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1052   -0.1928    1.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7665   -1.4063    1.6222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6766    1.4726   -0.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9845    2.0120   -0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9432    1.9852    0.7112 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