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
    4.1415   -1.2184   -0.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3159   -0.0628   -0.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9999   -0.0863    0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5655   -1.2022    0.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1493    1.0837    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5863    2.2545   -0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2407    0.9686    0.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9510    0.0644   -0.2112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2636   -0.0668    0.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4615   -1.5073    0.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2449    0.2442   -0.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1369   -0.8813   -0.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2750   -1.6117    0.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7109   -2.0168   -1.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6154    2.3148   -0.6644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9441    3.1364   -0.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7403    1.9585    0.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1816    0.5805    1.6341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4645    0.5866    1.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4981   -2.1562   -0.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5296   -1.7733    1.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3604   -1.5887    1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6137    1.2841   -0.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1482   -0.4248   -0.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7428    0.1205   -1.8693 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