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
    2.6159    1.8961    1.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8155    1.1240    0.7739 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3287    0.0050    0.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5272   -0.3162    0.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5335   -0.7982   -0.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0522   -1.8538   -1.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1304   -0.4339   -1.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6648   -0.4322    0.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9566   -0.0894   -0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3981    1.1445    0.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8466   -1.2642    0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6011    1.4326    1.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0996    1.8168    2.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6217    2.9618    1.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4666   -2.4510   -2.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0716   -2.1247   -1.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517   -1.0314   -1.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1577    0.6359   -1.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1076    0.1148   -1.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8454    0.8690    1.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5294    1.8142    0.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2192    1.6164   -0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7548   -2.0160   -0.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8951   -0.9517    0.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5524   -1.6684    1.1374 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