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
    4.5655   -0.1719   -0.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517   -0.5413    0.0782 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    0.3753    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4980    1.5416   -0.2980 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8543    0.0565    0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6140   -1.1682    0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1411    1.1034    0.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4295    0.9021    0.6802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621    0.0117   -0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9212   -1.0135    0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0470    0.7835   -1.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471   -0.6847   -1.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6420    0.9315   -0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2518   -0.4946    0.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3216   -1.5957    1.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4274   -1.9372    0.8338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0751    1.4823   -0.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2244    1.9648    1.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3074   -0.4245   -0.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6194   -1.1234    1.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9882   -0.8110    0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833   -2.0146    0.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8788    1.1330   -0.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5719    1.6489   -1.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3587    0.0461   -1.8425 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