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
3.4439 -0.1810 -1.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4462 0.2440 -0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7934 -0.6698 0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4118 -0.8384 0.3129 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4922 0.2021 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 1.3603 0.5796 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9112 0.0357 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3732 -1.1671 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8429 1.2203 0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9437 0.4602 -1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7935 -1.2030 -1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0847 1.2631 -0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8822 -0.2094 1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3046 -1.6442 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6917 -1.9998 -0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4323 -1.3296 -0.3829 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6503 1.8587 0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8798 0.8235 0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8112 1.7745 -0.8573 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