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
    3.6997    0.4162    0.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7915   -0.4867    0.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0909   -1.3739   -0.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6821   -1.2022   -0.1824 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0734    0.0081   -0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306    0.9635   -0.7849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3716    0.2236   -0.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0531   -0.7091   -1.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7024    1.6290   -0.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9992   -0.0048    0.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    0.5523   -0.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    1.0573    1.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5637   -0.5629    1.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5144   -1.2469   -1.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652   -2.4570    0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1006   -0.3190   -1.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5608   -0.5315   -2.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0288   -1.7549   -1.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6803    2.3460   -0.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6684    1.6716   -1.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9017    1.9512   -1.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0991    0.1499    0.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6620    0.7246    1.6252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8650   -1.0444    1.2323 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