Monomers
N-Propyl methacrylate
Identifiers
IUPAC name
propyl 2-methylprop-2-enoate
InchI
InChI=1S/C7H12O2/c1-4-5-9-7(8)6(2)3/h2,4-5H2,1,3H3
InchI Key
NHARPDSAXCBDDR-UHFFFAOYSA-N
SMILES
CCCOC(=O)C(=C)C
Canonical SMILES
CCCOC(=O)C(=C)C
Isomeric SMILES
CCCOC(=O)C(=C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5157
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
21 20 0 0 0 0 0 0 0 0999 V2000
3.4744 -0.2378 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0157 0.1311 -0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2899 -0.0844 0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0459 0.2301 0.6082 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8872 -0.4240 -0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4635 -1.3639 -0.9411 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2770 -0.0284 -0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0907 -0.6714 -1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7624 1.0936 0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9737 -0.5282 -1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9472 0.6349 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5326 -1.0920 0.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6040 -0.5148 -1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9369 1.1908 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4724 -1.1377 1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7958 0.5438 1.5149 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7054 -1.4833 -1.7617 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1269 -0.4174 -1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8756 1.0341 0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4311 2.0783 0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3768 1.0466 1.5493 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 2 0
5 7 1 0
7 8 2 3
7 9 1 0
1 10 1 0
1 11 1 0
1 12 1 0
2 13 1 0
2 14 1 0
3 15 1 0
3 16 1 0
8 17 1 0
8 18 1 0
9 19 1 0
9 20 1 0
9 21 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers