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
    4.8623   -0.2248   -0.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5627   -0.1237    0.2400 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4106   -0.1523   -0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5181   -0.2757   -1.7494 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0865   -0.0407    0.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0311    0.0865    1.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1647   -0.0693   -0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2338    0.0514    0.2024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4639    0.0385   -0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2699   -1.0948    0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1321    1.3800   -0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0294   -1.1554   -0.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5720   -0.1565    0.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0134    0.6770   -0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0659    0.1675    1.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9110    0.1128    2.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1600   -1.0087   -1.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1335    0.8331   -1.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4272   -0.0681   -1.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5697   -0.8016    1.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6200   -1.9876    0.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1421   -1.3604   -0.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4779    2.1618   -0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1077    1.5815    0.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1603    1.4293   -0.4883 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