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
    4.5565   -0.6042    0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1806   -0.9713    0.0116 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2707   -0.0878    0.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6531    0.9985    0.9891 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8185   -0.3807    0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4450   -1.5209    0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0689    0.6296    1.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3996    0.4560    1.1493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0287    0.3685   -0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8343    1.7072   -0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0212   -0.7223   -0.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7569   -0.1581    1.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1869   -1.4889   -0.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7891    0.1378   -0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5653   -1.8231    0.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095   -2.2149   -0.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1704    1.6099    0.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760    0.9414    2.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2885    0.3451   -0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8556    1.5403    0.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8969    1.8656   -1.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3692    2.5020    0.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0883   -0.3625   -0.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9025   -1.2761   -1.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9941   -1.4908    0.5604 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