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
3.1207 0.4191 0.6454 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4103 -0.5977 0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7442 -0.4945 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3272 -0.6555 -0.9544 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4190 0.1829 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1262 1.1327 0.4289 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8445 -0.0266 -0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4288 -1.0270 -0.6729 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6188 0.9160 0.8244 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2339 1.3424 0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6239 0.3709 1.6081 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3150 -1.4985 0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1057 -1.2849 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9644 0.4875 -1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4894 -1.1677 -0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8531 -1.6939 -1.2906 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6906 0.9093 0.6089 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2586 1.9571 0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3686 0.7285 1.8888 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