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
4.0471 -0.9847 -1.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9214 -0.3689 0.1268 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8656 0.4970 0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5257 -0.1705 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3971 0.8194 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8297 0.1461 -0.0089 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0063 0.8730 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9240 2.0868 0.4199 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3182 0.2889 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4015 1.0188 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4411 -1.1403 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3311 -1.1848 0.9462 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1501 -1.5934 -1.3585 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3186 -0.2923 -1.9158 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8860 -1.7175 -1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8436 0.8703 1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9143 1.3714 -0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4128 -0.5842 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4630 1.6743 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4782 1.2164 1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3800 2.0773 0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3981 0.6066 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2597 -1.6157 0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5310 -1.7196 -0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6586 -1.2725 -1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5938 -0.9021 1.8395 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