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
    3.8163    1.1414    0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8205    0.5597   -0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2280   -0.7239    0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8587   -0.6022    0.3944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0776   -0.2038   -0.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3202    0.0488   -1.7006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879   -0.1125   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5501    0.8928    1.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8727   -1.4630    0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4398    0.2166   -1.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2349    0.6902    1.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2138    2.0672   -0.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046    1.0159   -1.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474   -1.0719    1.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126   -1.5396   -0.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6080    1.0550    1.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379    1.8873    0.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9471    0.4882    1.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7067   -2.2707   -0.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9093   -1.4171    0.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1795   -1.6069    1.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4171    0.4797   -0.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6117   -0.6266   -1.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1114    1.0955   -1.7914 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