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
    4.1929    0.6845   -0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3294   -0.2834   -0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1383    0.0078    0.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9319   -0.2021   -0.1079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2602    0.0342    0.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2094    0.4195    1.7630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5843   -0.1482   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6469    0.1937    0.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7633   -1.5487   -0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6908    0.8517   -1.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0395    1.6574   -0.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0585    0.4931   -1.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4606   -1.2954   -0.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1645    1.0579    0.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1519   -0.6125    1.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347    1.1511    1.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6696   -0.6100    1.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6233    0.3234    0.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1731   -1.6235   -1.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8292   -1.6405   -0.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4934   -2.2658    0.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8852    0.7538   -1.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6316    1.8645   -0.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6726    0.7376   -1.6727 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