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
    3.6503   -0.5016   -0.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9505   -0.2628    0.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2081    1.0095    0.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8239    0.8053    0.8470 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0175    0.1992   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5810   -0.1739   -1.1614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -0.0193    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9627   -0.7016   -1.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7108   -0.9688    1.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1911    1.2746    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1834   -1.4175   -0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875    0.2583   -1.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9378   -1.0353    1.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5726    1.5179    1.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4349    1.7096   -0.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6012   -1.7619   -1.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6067   -0.2564   -2.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0702   -0.7626   -1.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2087   -1.9209    0.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8098   -1.1672    1.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4322   -0.5308    2.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1908    1.1340   -0.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2077    1.4976    1.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6307    2.0747   -0.2515 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