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
    4.1856   -0.2946    1.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2956    0.6127    0.5404 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459    0.1716    0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7341   -1.0220    0.3576 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0701    1.0204   -0.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3305    2.2875   -0.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2456    0.4804   -0.9263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9662    0.0037    0.1855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1846   -0.4918   -0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2428   -1.9557    0.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3494    0.2668    0.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384   -1.1083    1.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501   -0.7905    0.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8045    0.2191    1.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6024    2.9101   -1.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2767    2.7621   -0.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1242   -0.3929   -1.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8419    1.2300   -1.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2806   -0.3873   -1.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8706   -2.5257   -0.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7012   -2.0106    1.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2053   -2.3486    0.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1672    0.3483    1.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2768   -0.2562    0.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775    1.2713   -0.0914 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