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
    4.3582    0.8720   -0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621    0.6335    0.1832 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3213   -0.4669   -0.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9698   -1.2688   -1.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8711   -0.6983   -0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3765   -1.7678   -0.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1721    0.2947    0.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1313    0.1161    0.9691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267    0.1070   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8264    1.4468   -0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0600   -0.9545    0.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7135    1.4142    0.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3959    1.6024   -0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016   -0.0524   -0.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6428   -2.0418   -0.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0073   -2.4364   -1.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3988    1.3491    0.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7017    0.2709    1.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5722    0.1384   -1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1057    2.2527   -0.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3536    1.5778    0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5289    1.3462   -0.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8843   -0.5370    0.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6159   -1.7689    0.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4022   -1.4291   -0.7939 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