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
    3.3362   -1.6754   -2.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0078   -1.1878   -0.7287 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8557   -0.4339   -0.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1452   -0.2148   -1.5639 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4636    0.0937    0.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2316   -0.1512    1.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2186    0.8928    0.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8301    0.0800    0.4704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0632    0.7085    0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0219    0.0203    1.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7337    0.8166   -0.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207   -1.4135   -2.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2597   -1.1434   -2.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5049   -2.7497   -1.9664 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9501    0.2343    2.7795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1358   -0.7248    1.7556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1305    1.2549    1.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3166    1.7345    0.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8859    1.7377    0.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8797    0.2718    2.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0555    0.2857    1.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9283   -1.0779    1.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3701   -0.0695   -1.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9494    0.9771   -1.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3592    1.7342   -0.7965 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