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
    4.6179   -0.0151    0.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2471    0.2506    0.6399 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3191    0.1072   -0.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6649   -0.2504   -1.5356 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8997    0.3859   -0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6303    0.7466    1.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0945    0.2295   -1.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3992    0.4504   -0.8845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0972   -0.2987    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9668    0.5856    0.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0781   -1.2368   -0.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9736    0.7568   -0.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2517    0.0217    1.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6629   -1.0222   -0.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4549    0.8339    1.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3523    0.9827    1.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2055    0.9720   -1.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736   -0.7522   -1.6637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082   -1.0012    0.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9490    0.6732    0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5766    1.6361    0.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0739    0.1805    1.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4918   -2.0666   -1.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8186   -1.5490   -0.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5952   -0.6204   -1.5292 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