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
    3.2386    0.4896    1.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2030   -0.7776    0.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016   -1.4132    0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300   -0.4855    0.1189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -0.7812   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5675   -1.9272   -0.7906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3860    0.2594   -0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6843   -0.2420   -0.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6003    0.6851    1.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9082    1.3945   -1.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303    1.0519    1.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1222    0.9415    1.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1216   -1.3469    0.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2387   -1.7931   -0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6933   -2.2279    0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7489   -0.0904   -1.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5252    0.3526   -0.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8394   -1.3035   -0.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6157    1.0370    1.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8239    1.4275    1.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4524   -0.2309    1.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6322    2.2408   -1.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8602    0.9847   -2.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0897    1.7547   -0.9289 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