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
    2.9215    1.2023    0.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1768   -0.0697    0.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2754   -1.2079    0.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9682   -0.9302   -0.0889 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0386   -0.1962    0.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3733    0.2914    1.7095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3442    0.0648    0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0431   -1.2737   -0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1358    0.8871    1.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590    0.7443   -1.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6907    1.9541    0.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9626    1.6155   -0.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2050   -0.3393    0.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3457   -1.8350    1.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138   -1.8556   -0.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0680   -1.2555    0.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4960   -2.0789    0.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0939   -1.5691   -1.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2110    0.6759    0.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416    0.6066    2.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8678    1.9510    0.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934    0.3777   -1.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3522    1.8377   -1.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2657    0.4025   -1.7807 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