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
-2.5451 -0.6155 0.7814 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2916 -0.3091 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5073 0.9775 -0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2597 0.9438 -0.2237 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7536 0.0488 -0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5257 -0.8026 -1.4076 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9921 0.1427 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1747 1.0579 1.1485 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0977 -0.8258 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5649 0.3622 1.3131 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7634 -1.2389 1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5249 -1.1361 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2719 -0.1510 -1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7662 -1.1796 -1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4863 1.3137 -1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1129 1.7633 -0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4059 1.7881 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1156 1.1022 1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8714 -0.7815 0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5266 -0.6110 -1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6309 -1.8491 -0.1255 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