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
    3.3582   -1.0995    3.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -1.3914    2.2253 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6568   -0.4571    1.8111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5087    0.5853    2.4960 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517   -0.7036    0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0433   -1.8100   -0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1419    0.3267    0.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8355   -0.0262   -0.9272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7672    0.9405   -1.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1555    0.4021   -1.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3664    1.5235   -2.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4589   -1.0775    3.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0134   -0.1617    3.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087   -1.9764    4.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7796   -2.5331    0.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4644   -2.0079   -0.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3684    1.2959    0.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8095    0.4812    1.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7456    1.7978   -0.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8549    1.0948   -0.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5064    0.3606   -2.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1936   -0.6106   -1.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2697    1.5565   -2.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8834    0.9341   -3.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7993    2.5561   -2.6649 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