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
    3.0599   -0.6025   -1.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0859   -0.5908   -0.6737 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8738    0.4889    0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5813    1.5044    0.0033 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8756    0.5011    1.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7501    1.5775    1.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0133   -0.6583    1.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8038   -0.9982    0.4010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6194    0.0436    0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3441    0.5343   -1.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0928   -0.3253    0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7698   -1.4353   -1.5394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6567    0.3275   -1.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6057   -0.7540   -2.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613    2.4396    1.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0116    1.5913    2.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6287   -0.4046    2.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6822   -1.5170    1.7223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4185    0.9106    0.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6334    1.6123   -1.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0423   -0.0066   -2.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3240    0.3442   -1.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6494    0.6253    0.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3075   -1.0758    0.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4366   -0.7533   -0.8889 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