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
    3.6451   -0.1466    0.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9343    0.6228    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2384    0.0130   -1.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    0.2040   -1.0073 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0371   -0.2496    0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.8582    0.9692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4283   -0.0538    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1053   -0.7088   -1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7990    1.4142    0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9723   -0.6835    1.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1834    0.2628    1.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7395   -1.2192    0.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8772    1.6709    0.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5898    0.5608   -1.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5453   -1.0261   -1.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5113   -1.6888   -0.8122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3972   -0.9028   -1.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9138   -0.0605   -1.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8609    1.4800   -0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1672    2.0409   -0.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8413    1.7326    1.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8277    0.0624    2.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0522   -0.9170    1.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3427   -1.5496    1.5646 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