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
3.0371 -0.5502 -0.7461 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4595 0.1710 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5919 1.3341 -0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2722 1.1680 0.3005 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4212 0.0501 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0993 -0.7626 -0.9497 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7814 -0.1319 0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3522 0.7148 1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5247 -1.3205 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9214 -0.3500 -1.8075 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6574 -1.3830 -0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6235 -0.0917 1.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0053 2.2307 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6397 1.5196 -1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3605 0.5824 1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7892 1.5739 1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4980 -1.3969 0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8821 -2.1981 0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6978 -1.1597 -1.2510 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