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
    3.6536   -0.1623    1.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8858    0.7435    0.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2201    0.4561   -0.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8079    0.5403   -0.7528 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0512   -0.2458    0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6918   -1.0700    0.8016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4412   -0.1395    0.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8807    1.2345    0.5853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0605   -0.4148   -1.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9513   -1.2122    1.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7877   -1.1124    0.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1671   -0.0131    1.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7652    1.6958    0.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5753   -0.4806   -1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5141    1.2668   -1.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0932    1.7615    1.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7529    1.1458    1.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2097    1.8594   -0.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9490   -1.4775   -1.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4563    0.1681   -1.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1039   -0.0638   -1.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6834   -0.9731    2.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4743   -2.1710    0.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0635   -1.3356    0.9514 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