Monomers

Methyl 2-(propoxymethyl)prop-2-enoate

Identifiers

IUPAC name
methyl 2-(propoxymethyl)prop-2-enoate
InchI
InChI=1S/C8H14O3/c1-4-5-11-6-7(2)8(9)10-3/h2,4-6H2,1,3H3
InchI Key
OVZWLGCWEYISAY-UHFFFAOYSA-N
SMILES
CCCOCC(=C)C(=O)OC
Canonical SMILES
CCCOCC(=C)C(=O)OC
Isomeric SMILES
CCCOCC(=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
1.1422
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
   -3.7066   -0.2893    0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4201   -1.0449    0.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345   -0.6868   -0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1652    0.6480   -0.2794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2795    1.1458   -1.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0509    0.5414   -1.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5598   -0.0794   -2.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532    0.6263    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4419    1.2065    1.0727 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1356    0.0677    0.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9094    0.1455    1.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6565    0.7506    0.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4451   -0.8117    1.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1453   -0.3493   -0.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6452   -2.1262    0.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9323   -0.7497    1.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4940   -1.2480   -0.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7772   -1.0118   -1.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1706    2.2361   -0.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6713    1.0915   -2.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931   -0.1582   -3.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5348   -0.5105   -2.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9078   -0.7679    1.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9598    0.3861    0.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972    0.9882    1.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  5 19  1  0
  5 20  1  0
  7 21  1  0
  7 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