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
    4.0427    0.7130   -0.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1247   -0.2168   -0.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492   -0.4354    0.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8663   -0.2109    0.0850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3036   -0.3149    0.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2813   -0.6207    1.9977 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5694   -0.0489    0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6683   -1.0487   -1.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5134    1.3826   -0.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7741   -0.1748    1.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1057    1.3310    0.5215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7602    0.8960   -1.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0763   -0.8178   -1.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3623    0.2626    1.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2685   -1.4975    0.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2151   -0.5924   -1.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6290   -1.2614   -1.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345   -1.9731   -0.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4834    1.7119   -0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2137    2.0087    0.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6850    1.4621   -1.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1781   -1.2152    1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5411    0.1945    2.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5660    0.4664    0.5649 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