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
    3.0693    1.4549    0.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0824    0.5236    0.4971 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3021   -0.5384   -0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4622   -0.6818   -0.8302 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2039   -1.4108   -0.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3699   -2.4277   -1.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1163   -1.1656   -0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6435    0.0775   -0.3953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8680    0.2225    0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8922    1.4055    1.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9903    0.4415   -0.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8309    1.7689    1.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0735    1.0113    0.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0335    2.3130    0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5814   -3.1273   -1.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3397   -2.6035   -1.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0747   -1.1937    1.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8749   -1.9195   -0.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1112   -0.6776    0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3313    2.2674    0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    1.0968    2.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9557    1.7049    1.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7231   -0.4025   -0.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5755    1.3539   -0.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6296    0.5067   -1.8281 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