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
   -4.7621   -0.5859   -0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5051   -0.6092    0.4025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3796   -0.2297   -0.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5406    0.1169   -1.5179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704   -0.2383    0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676   -0.6111    1.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0963    0.1778   -0.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187    0.0853    0.3004 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3876    0.4575   -0.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2653   -0.8008   -0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0713    1.5824    0.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9630   -1.5485   -0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5246   -0.3944    0.5444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7321    0.2629   -0.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0026   -0.6362    2.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8729   -0.8968    2.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0043    1.2500   -0.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1592   -0.4256   -1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1067    0.7368   -1.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7603   -1.4894   -1.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1712   -1.2835    0.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2853   -0.5883   -0.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0455    1.2774    0.7956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4402    1.9627    1.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3086    2.4280   -0.3342 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