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
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
3.8761 -0.6447 0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6713 -1.0196 -0.4185 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7273 -0.0573 -0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3636 0.6483 0.6375 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2635 1.6446 0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8786 1.0795 -0.2429 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6709 0.1112 0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3255 -0.2903 1.4878 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8447 -0.4504 -0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2449 -0.0724 -1.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6341 -1.4894 0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4235 1.3268 1.2032 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5033 -1.6005 0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8858 -0.3339 1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4183 0.1271 -0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8168 -0.5430 -1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0490 0.6839 -1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9619 -0.0696 1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0435 2.1742 1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6492 2.4089 -0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6779 0.6847 -2.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1120 -0.4723 -2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9661 -2.1735 0.9792 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2668 -2.0767 -0.3121 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3080 -0.9845 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2760 1.3890 2.1768 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