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
    1.2504    2.7933   -1.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6494    1.5588   -1.4988 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3180    0.3680   -1.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    0.3936   -1.3308 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520   -0.8944   -1.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3736   -1.9791   -0.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8283   -1.0221   -0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4001   -0.2540   -0.0099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760   -0.5475    1.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2854    0.6277    1.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0547   -1.0290    2.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3363    2.8128   -1.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1068    3.0344   -2.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7669    3.6276   -1.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -1.9219   -0.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8991   -2.9162   -0.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0937   -2.0707   -1.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1954   -0.5961   -1.9764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2275   -1.3880    1.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7390    1.5958    1.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7906    0.6864    1.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350    0.5689    3.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7557   -0.7997    3.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1420   -2.1347    2.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0254   -0.5141    2.0138 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