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
    4.0918    0.9092    0.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2787    0.6477   -0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2099   -0.3688   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9235    0.1865   -0.1904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1688   -0.6436   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -1.8448    0.2634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5620   -0.2000   -0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9194    0.9135    0.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7416    0.3902   -1.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4847   -1.3534    0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9836    0.4013    1.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8701    1.6374    0.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3601    1.1500   -1.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4068   -1.1908   -0.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3393   -0.8142    0.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8810    1.3434    0.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875    1.7266    0.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1335    0.5245    1.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9412    1.1532   -1.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5738   -0.3901   -2.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7342    0.8451   -1.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8424   -1.4325    1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9784   -2.3075   -0.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3704   -1.2827   -0.6116 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