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
    4.0457   -0.1030   -0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8998    0.2231    0.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0224   -0.7608    1.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7316   -0.8305    0.5174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1227    0.2469    0.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2813    1.3375    0.9280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4766    0.1701   -0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2554   -0.8745    0.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4037   -0.2296   -1.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2187    1.4734   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4029   -1.1386   -0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6910    0.6115   -0.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5921    1.2547    0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9625   -0.6101    2.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -1.7893    0.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7520   -0.3579    1.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0115   -1.3732   -0.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5496   -1.6053    1.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2756    0.0926   -2.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5032    0.2605   -2.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2605   -1.3302   -1.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2887    1.2664   -0.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1299    1.8071    1.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8436    2.2594   -0.6995 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