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
    3.5773    1.0754   -1.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8765    0.8491    0.1034 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4546    0.8376    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138    1.0422   -0.9375 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7732    0.6072    1.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5281    0.4177    2.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6631    0.5810    1.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995   -0.3044    0.9692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7576   -0.5678   -0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2747   -0.6247   -0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1977   -1.8974   -0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9465    0.6826   -1.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5306    0.5375   -1.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7133    2.1553   -1.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5843    0.4577    2.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0653    0.2334    3.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9070    0.6171    2.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0758    1.6291    1.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4133    0.1639   -0.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5001   -1.1070   -1.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7314    0.3618   -0.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7262   -1.2359    0.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1216   -1.7258   -1.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4146   -2.7340   -0.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7811   -2.0516   -1.7548 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