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
    3.3827   -1.4456   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172   -0.6309    0.0568 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2362    0.6931   -0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3351    1.0980   -0.8549 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0501    1.5368   -0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1305    2.7668   -0.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2447    1.0648    0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7523   -0.0150   -0.4978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9605   -0.3773    0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8834   -1.7868    0.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0647   -0.3188   -0.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2996   -0.8201    0.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4900   -1.9784   -0.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3649   -2.1242    0.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3066    3.4642   -0.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0696    3.1179   -1.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1808    0.8735    1.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9860    1.8814    0.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1683    0.3007    0.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9087   -2.2290    0.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2581   -2.4230    0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4743   -1.7438    1.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5977   -0.2551   -1.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7054   -1.2077   -0.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6977    0.5583   -0.7207 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