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
   -4.5990    0.1693   -0.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2566    0.5004   -0.1299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912   -0.6735    0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1092   -0.4382    0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3755   -0.1617   -0.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0048   -0.1649   -0.6494 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7856    0.6487    0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2425    1.5735    0.7511 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384    0.4821    0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9528    1.2966    0.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9497   -0.5885   -0.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9165    0.4590    1.4499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6947   -0.5753   -1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9600   -0.3250    0.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2300    1.0695   -0.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0201   -1.0393    1.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7560   -1.4044   -0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7163   -1.4289    0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5710   -0.9555   -1.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7236    0.7757   -1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4621    2.0983    1.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0072    1.2272    1.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3872   -1.5441   -0.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9296   -0.8005   -0.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0663   -0.2677   -1.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5064    0.0674    2.2607 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