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
    2.5344    2.0752    1.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2317    1.3670    0.8236 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4791    0.1987    0.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0601   -0.2249    1.9218 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048   -0.4815   -0.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6553   -0.0129   -1.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4021   -1.7194   -0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8466   -1.4640    0.1223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5243   -0.5136   -0.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9037    0.6553    0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8063   -1.1189   -1.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8234    2.9021    2.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5688    2.4830    1.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4199    1.3699    2.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4440   -0.5265   -2.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2390    0.8843   -1.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3645   -2.2312   -1.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9044   -2.4578    0.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9271   -0.1720   -1.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9794    0.2647    1.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1486    1.4679    0.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8889    1.0406   -0.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5991   -1.5259   -2.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6097   -0.3468   -1.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0977   -1.9133   -0.4450 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