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
    2.8854   -0.1570    0.9598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0600   -0.4821   -0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0366   -0.8987   -1.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7248   -0.9430   -0.7887 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0967    0.2196   -0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7387    1.2957   -0.4886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2732    0.2742    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6485    1.6883    0.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4881   -0.6366    1.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2011   -0.2343   -0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7358    0.1451    1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8869   -0.2058    1.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874   -0.4404   -0.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3696   -1.9071   -1.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1316   -0.1836   -2.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6498    1.9506    0.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8858    2.3923    0.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6637    1.8916    1.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9773   -1.5950    1.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5853   -0.8543    1.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0935   -0.2275    2.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5360    0.6349   -1.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6773   -1.0014   -1.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0738   -0.7253   -0.4976 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