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
    4.0549   -0.1451    0.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9631    0.0508   -0.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0594   -1.0663   -0.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7515   -0.9133   -0.0668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1411    0.0324   -0.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2641    0.8373   -1.3354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5230    0.1906    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4143    0.4380    1.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1725    1.4324   -0.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3781   -1.0203   -0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7749    0.6430    0.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2940   -1.1001    0.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8433    1.0564   -0.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9622   -1.2164   -1.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5330   -2.0043   -0.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7105   -0.3335    1.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8704    1.4111    1.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3894    0.4369    2.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8439    2.3437   -0.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8968    1.5691   -1.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2947    1.3199   -0.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2386   -0.7417   -0.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8183   -1.3994    0.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8089   -1.8215   -0.7574 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