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
    3.9530    0.2487    0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9150    0.1799    0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1387   -1.0573   -0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7752   -0.9162    0.2338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0631   -0.0113   -0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4313    0.7034   -1.3023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4917    0.1510   -0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7044    0.5620    1.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0630    1.2019   -0.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1846   -1.1907   -0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2103   -0.6523    1.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5340    1.1275    1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6508    1.0795   -0.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2974   -1.4159   -1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5607   -1.8319    0.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5622    1.6565    1.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0282    0.0109    2.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7746    0.3494    1.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7053    2.1963   -0.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6354    1.0012   -2.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1725    1.1595   -0.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8843   -1.3874    0.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4214   -1.9955   -0.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7758   -1.1691   -1.2440 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