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
3.9444 -0.6836 -0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7536 -0.3776 -1.2949 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6189 -0.4155 -0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5751 0.4768 0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3401 0.4815 1.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8905 0.6575 0.9070 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6815 -0.0853 0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2643 -1.2105 -0.2524 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0091 0.3490 -0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5117 1.5178 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8077 -0.5382 -1.2723 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6729 0.2169 1.5282 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7089 -0.6078 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3497 0.0531 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0478 -1.7348 -0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8129 -0.0446 -1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4362 -1.4661 -0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7601 1.5316 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3957 -0.4385 2.1365 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4540 1.3089 2.2417 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4791 1.8406 -0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9913 2.2269 0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2701 -1.5103 -1.3923 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8247 -0.7168 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7881 -0.0590 -2.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6479 -0.7719 1.6589 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