Monomers

CID 85622357

Identifiers

IUPAC name
methyl 2-(propan-2-yloxymethyl)prop-2-enoate
InchI
InChI=1S/C8H14O3/c1-6(2)11-5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
AUSGESVXHJQSRC-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)COC(C)C
Canonical SMILES
CC(C)OCC(=C)C(=O)OC
Isomeric SMILES
CC(C)OCC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O3
Heavy Atom Count
11
Molecular Weight
158.197
Exact Molecular Weight
158.0943
Valence Electrons
64
Radical Electrons
0
tPSA
35.53
MolLogP
1.1406
H Bond Acceptors
3
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

 25 24  0  0  0  0  0  0  0  0999 V2000
    4.4081    0.5268   -0.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0198    0.3821   -0.6189 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4959   -0.6377    0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2882   -1.4643    0.6512 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0704   -0.7918    0.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6493   -1.7899    1.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0818    0.1556   -0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1820   -0.2303    0.2307 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    0.5911   -0.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9546    1.1394    0.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1314   -0.2637   -1.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8052    1.3853   -0.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6110    0.5973   -1.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646   -0.3750   -0.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3097   -2.5207    1.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4098   -1.9349    1.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1758    0.2466   -1.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2719    1.1611    0.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7888    1.4239   -0.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9729    0.3661    1.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4970    2.1013    1.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0022    1.3428    0.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5468   -1.0963   -1.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6050    0.3695   -1.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8780   -0.6844   -0.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  9 19  1  0
 10 20  1  0
 10 21  1  0
 10 22  1  0
 11 23  1  0
 11 24  1  0
 11 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers