Monomers
Allyl methacrylate
Identifiers
IUPAC name
prop-2-enyl 2-methylprop-2-enoate
InchI
InChI=1S/C7H10O2/c1-4-5-9-7(8)6(2)3/h4H,1-2,5H2,3H3
InchI Key
FBCQUCJYYPMKRO-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)OCC=C
Isomeric SMILES
CC(=C)C(=O)OCC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H10O2
Heavy Atom Count
9
Molecular Weight
126.155
Exact Molecular Weight
126.0681
Valence Electrons
50
Radical Electrons
0
tPSA
26.3
MolLogP
1.2917
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
19 18 0 0 0 0 0 0 0 0999 V2000
3.5388 0.2247 -0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3803 -0.3860 -0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6135 -0.7332 0.6972 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3402 -0.1431 0.7604 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5929 -0.4123 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2415 -1.1880 -1.1514 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9245 0.1804 -0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7519 -0.1247 -1.1765 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3749 1.0973 0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1546 0.5092 -1.2541 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9515 0.4848 0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9976 -0.6300 -1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2326 -0.5278 1.5871 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4292 -1.8479 0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7408 0.3120 -1.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4785 -0.7942 -1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5086 1.4837 1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0006 1.9310 0.4754 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0243 0.5641 1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 3
7 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
3 13 1 0
3 14 1 0
8 15 1 0
8 16 1 0
9 17 1 0
9 18 1 0
9 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers