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
3.6659 0.8576 -0.9525 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0501 -0.3870 -0.9457 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8354 -0.3279 -0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1707 -1.6622 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0426 -1.7976 0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1689 -1.0778 0.3924 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4725 0.2327 0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5354 0.9779 0.9929 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7837 0.8175 0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7514 0.0665 -0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0073 2.2563 0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 -2.5757 0.3512 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0511 1.6501 -1.4173 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 1.1164 0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6255 0.7258 -1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1606 0.3385 -0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0163 0.0725 0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0934 -2.0220 -1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2439 -2.9240 0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2845 -1.5882 1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5595 -0.9863 -0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7446 0.4598 -0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2630 2.8438 -0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0420 2.5364 0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8709 2.5177 1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5389 -2.1209 1.1412 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