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
    3.1153    1.1659    1.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0328    0.3657    0.7784 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2362   -0.6626   -0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4024   -0.8291   -0.5503 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1164   -1.4728   -0.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720   -2.4258   -1.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2466   -1.2119   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6529    0.0847   -0.3877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9037    0.3907    0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8823    0.6900   -1.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9072    1.5297    1.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2095    2.0856    0.6264 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8734    1.4721    2.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0893    0.6376    1.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5275   -3.0295   -1.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3586   -2.6182   -1.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9531   -1.8975   -0.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3074   -1.4313    0.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3193   -0.5004    0.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8103   -0.1858   -1.7583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9165    0.6698   -0.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6677    1.6322   -1.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2291    2.3271    0.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6294    1.2089    2.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9080    2.0049    1.1349 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