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
    3.9668   -0.2736    0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8848    0.4211    0.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1355    0.1041   -1.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7988   -0.2735   -0.8663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1449    0.5232   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1784    1.6570    0.1324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5346   -0.0310   -0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0457   -0.3302   -1.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4449    1.0167    0.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4354   -1.2374    0.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2665   -1.0656   -0.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5543   -0.0740    1.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6137    1.2093    0.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1873    0.9879   -1.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6327   -0.7303   -1.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1314   -0.4673   -1.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5041   -1.1949   -1.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8074    0.5782   -2.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0948    2.0279    0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4609    0.8669    1.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4987    0.9069    0.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3973   -1.6866    1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8054   -1.9924    0.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9135   -0.9424    1.7226 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