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
    3.9755    1.7056    0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3402    0.4535   -0.0529 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0051    0.3242    0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4259    1.3463    0.7689 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2918   -0.9464    0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9106   -2.0073   -0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1277   -1.0146    0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9239   -0.1294   -0.1286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2480   -0.1783    0.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6989    1.1969    0.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517   -0.6008   -0.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3925    1.8120    1.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3461    2.5543   -0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648    1.6765   -0.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3781   -2.9382   -0.3689 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9402   -1.9840   -0.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5261   -2.0380    0.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2597   -0.8657    1.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3775   -0.9365    1.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9876    1.9661    0.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7414    1.1844    1.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6942    1.4518    0.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7559   -0.1001   -1.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1893   -0.2275   -0.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891   -1.7046   -0.9997 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