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
    4.7056   -0.7102    0.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5008   -0.8921   -0.1954 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3712   -0.2319    0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3902    0.4985    1.2852 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1173   -0.3926   -0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0302   -1.1501   -1.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1084    0.3256    0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1731    0.0284   -0.7885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483    0.6302   -0.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3315   -0.4725   -0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9156    1.5625   -1.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449   -1.0824    1.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5380   -1.2962    0.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9044    0.3806    0.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9098   -1.6539   -1.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0873   -1.2445   -2.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3382   -0.1199    1.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    1.3835    0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1662    1.2447    0.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625   -1.1486    0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2477   -0.0849    0.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5477   -1.0549   -0.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7086    1.2703   -2.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5800    2.6186   -1.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0219    1.5916   -1.3198 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