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
    3.7613   -0.4000    0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8533    0.3742    0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0482    1.3715    0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6555    1.1559    0.1478 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    0.0258   -0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7627   -0.8490   -0.8511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4242   -0.2154   -0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7606   -1.5479   -0.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8347   -0.2419    1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2049    0.8397   -1.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3398   -1.1277    0.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9257   -0.2923   -0.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7057    0.2449    1.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3331    2.3877    0.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3068    1.3334   -1.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8527   -1.5769   -1.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4701   -2.3673   -0.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2519   -1.6615   -1.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1054    0.3630    1.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8405    0.2017    1.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8076   -1.2602    1.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2387    0.8226   -0.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7598    1.8539   -0.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1723    0.5657   -2.0800 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