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
   -4.3351    0.4765   -1.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3974    0.4071   -0.1068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0913   -0.0221   -0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -0.3797   -1.4130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1544   -0.0734    0.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6151    0.3169    2.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2399   -0.5350    0.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9624    0.2324   -0.1814 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501   -0.2510   -0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5984   -0.7229   -1.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2941    0.7613    0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3073   -0.0081   -0.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9882    0.1065   -2.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5828    1.5658   -1.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9783    0.3100    2.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6294    0.6564    2.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3029   -1.5952    0.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7354   -0.4806    1.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3491   -1.1217    0.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6715    0.1258   -2.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9366   -1.5260   -2.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451   -1.1393   -1.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3132    1.6508   -0.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2843    0.2495    0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2285    0.9961    1.2197 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