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
    3.9991    0.4548    0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8950   -0.1107   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0072    0.5241   -1.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6895    0.7263   -0.7547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1012   -0.3238   -0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3955   -1.4705   -0.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4585   -0.1537    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0636   -1.4870    0.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3604    0.6541    1.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3997    0.5010   -0.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2899    1.4264   -0.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230   -0.0332    0.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6355   -1.0877    0.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9046   -0.1905   -2.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180    1.4959   -1.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2009   -2.1322   -0.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3259   -1.9756    1.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0161   -1.3293    1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4936    0.2775    2.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1951    1.6989    1.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2826    0.4684    2.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9107    1.3231   -0.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8742    0.9309   -1.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1749   -0.1872   -1.1860 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