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
2.8623 0.5154 -0.5593 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5714 -0.1732 0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3023 -0.9672 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1742 -0.1526 0.3868 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0833 -0.7297 0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1539 -1.9716 0.4754 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2704 0.0310 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4436 -0.5369 -0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1550 1.4821 -0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1064 -0.2837 -1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0576 1.1852 -0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7748 1.1552 -0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5792 0.5707 1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4003 -0.8920 0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4330 -1.7787 -0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0959 -1.4107 1.6851 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5269 -1.6229 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3650 -0.0401 -0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3168 1.7345 -0.9061 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9289 1.9391 0.7734 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1137 1.9460 -0.5603 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