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
    3.6216    0.7817   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9027   -0.2673   -0.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1974   -1.1071    0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7915   -1.1365    0.2043 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0598    0.0416    0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022    1.1011    0.4916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4211    0.0568    0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435   -0.7943    1.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8972    1.4821    0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7514   -0.3849   -1.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1377    1.3950   -0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7114    1.0516    0.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8485   -0.4912   -1.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6179   -2.1329    0.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3549   -0.7099    1.4483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1355   -1.0358    0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5895   -1.7105    1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2830   -0.1658    1.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5121    1.9645    1.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241    1.4290    0.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6094    2.0674   -0.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8377   -0.5395   -1.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3449    0.3903   -1.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3961   -1.2854   -1.3306 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