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
    4.5634    0.9837   -1.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    0.1242   -0.8264 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2649    0.5802   -0.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0481    1.7838   -1.0564 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1861   -0.2579   -0.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4306   -1.4969    0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1762    0.3233   -0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0856   -0.6017    0.4164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.0569    0.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8400    0.0145    1.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3688   -0.8545   -0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3747    0.4577   -1.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0830    1.7238   -2.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9057    1.6001   -0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308   -1.8939    0.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6822   -2.1704    0.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0895    1.2287    0.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    0.6274   -1.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3055    0.9971    0.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9196    0.2715    1.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3224    0.8126    2.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7677   -0.9809    2.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5403   -0.3445   -1.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9662   -1.8911   -0.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3241   -0.9798    0.2870 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