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
   -3.3029    2.0010   -0.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6552    0.7823   -0.6584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6397    0.5744    0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2598    1.5734    0.9134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0647   -0.7430    0.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5240   -1.7208   -0.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0298   -0.9827    1.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1632   -0.2422    1.1295 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7771   -0.4311   -0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2082   -0.8860    0.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8358    0.8411   -0.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4215    2.2014   -1.9938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3587    1.8859   -0.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8186    2.8731   -0.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3213   -1.5386   -1.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1487   -2.7375   -0.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2448   -2.0913    1.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3024   -0.7484    2.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   -1.1760   -0.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6833   -0.1618    0.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2883   -1.9325    0.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7023   -0.8301   -0.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6407    1.5050   -0.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1580    0.6182   -1.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8778    1.3662   -0.9437 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