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
-3.6720 0.3871 0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2502 0.9351 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3219 -0.2214 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0235 0.1562 0.0428 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0143 -0.7858 -0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6526 -1.9518 -0.4913 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4402 -0.4483 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3150 -1.3938 -0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8396 0.9447 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7407 0.0355 -0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7229 -0.4894 0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4264 1.1390 0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1053 1.7368 -0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1394 1.2913 1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5846 -1.0184 0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5774 -0.5946 -1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0089 -2.3850 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3608 -1.1696 -0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1862 1.4023 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8386 1.5367 -0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8615 0.8934 0.6755 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