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
    3.5464    1.0446   -0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8572    0.1031   -0.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1911   -0.9457    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8004   -0.9215   -0.1088 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044    0.1831    0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5127    1.2213    0.6345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4420    0.0295   -0.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5372   -0.2645   -1.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2303    1.2663    0.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9256   -1.1867    0.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261    1.0541    1.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0278    1.8073   -0.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7637    0.0740   -1.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3526   -0.8060    1.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5309   -1.9798   -0.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8485   -1.0836   -1.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6105   -0.5152   -1.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2279    0.6578   -2.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8275    1.0389    1.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    2.1476    0.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9692    1.4298   -0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5524   -1.0429    1.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0230   -1.2309    0.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4441   -2.0808    0.2213 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