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
    3.9400    0.8549    0.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9137    0.0393    0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2173   -0.4874   -0.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8494   -0.1226   -0.6947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0680   -0.4540    0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3056   -1.1338    1.2516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5038   -0.0623    0.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6721    1.4388    0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3037   -0.7391    1.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9998   -0.5587   -1.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2587    1.1277   -0.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4777    1.2633    1.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5999   -0.2298    1.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566   -1.5864   -0.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618   -0.1179   -1.6124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5630    1.6779   -0.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7863    1.8689   -0.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8749    1.8534    1.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9272   -1.7520    1.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2338   -0.1529    2.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3567   -0.8033    0.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8534    0.0787   -1.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2533   -1.6353   -1.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1849   -0.3674   -1.8795 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