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
    3.9848   -0.4693   -0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9027   -0.3546    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9095   -1.4283    0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6209   -1.0206   -0.1920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0801   -0.0109    0.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4819    0.5276    1.4355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4255    0.4401    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9660    1.5421    0.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3571   -0.7603    0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4424    0.8957   -1.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1538   -1.3550   -1.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7212    0.3165   -0.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7391    0.5353    0.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250   -1.8828    1.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2066   -2.2603   -0.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7386    2.1276    0.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4104    1.1892    1.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1835    2.2820    1.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4149   -0.4799    0.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1740   -1.3097    1.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1840   -1.4961   -0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8855    0.1172   -2.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3647    0.9732   -1.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9187    1.8814   -1.5602 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