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
   -4.3847    0.6524    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3737   -0.3385    0.3629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0982   -0.0301   -0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8550    1.1554   -0.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0906   -1.0747   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4231   -2.2941    0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3027   -0.8380   -0.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9497    0.1184    0.2319 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2358    0.3059   -0.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2787    0.0223    0.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4913    1.7265   -0.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3537    0.1163    0.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4211    1.2181   -0.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1392    1.3254    1.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7037   -3.1150    0.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4293   -2.5195    0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8691   -1.7813   -0.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2503   -0.4557   -1.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263   -0.3529   -1.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0570    0.6254    1.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3597   -1.0325    1.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647    0.3269    0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6421    2.1563   -1.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7921    2.3964    0.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3527    1.6870   -1.3967 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