Monomers

Methacrylic acid 2-hydroxy-3-methoxypropyl ester

Identifiers

IUPAC name
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
InchI
InChI=1S/C8H14O4/c1-6(2)8(10)12-5-7(9)4-11-3/h7,9H,1,4-5H2,2-3H3
InchI Key
BMCVSUCDMJFKSZ-UHFFFAOYSA-N
SMILES
COCC(COC(=O)C(=C)C)O
Canonical SMILES
CC(=C)C(=O)OCC(COC)O
Isomeric SMILES
CC(=C)C(=O)OCC(COC)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O4
Heavy Atom Count
12
Molecular Weight
174.196
Exact Molecular Weight
174.0892
Valence Electrons
70
Radical Electrons
0
tPSA
55.76
MolLogP
0.113
H Bond Acceptors
4
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 26 25  0  0  0  0  0  0  0  0999 V2000
   -4.4437   -0.7646    0.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1005   -0.5567    0.5859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6111    0.5002   -0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1121    0.6945    0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533   -0.6059   -0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9047   -0.6949    0.0347 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7908    0.1761   -0.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3491    1.0219   -1.3566 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2257    0.1481   -0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0438    0.9892   -0.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8022   -0.8502    0.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0355    0.9913    1.4228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0521    0.1428    0.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5775   -1.0221   -0.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7642   -1.6073    0.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7691    0.1742   -1.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1823    1.4123    0.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7793    1.4944   -0.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0505   -1.4130    0.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592   -0.8561   -1.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1034    0.9640   -0.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6755    1.7484   -1.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4826   -0.3431    1.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2790   -1.6647    0.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9758   -1.2840    1.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1421    1.2052    1.7440 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  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
  9 11  1  0
  4 12  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
 10 21  1  0
 10 22  1  0
 11 23  1  0
 11 24  1  0
 11 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers