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
-2.6422 0.0849 1.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5822 0.4988 -0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4383 -0.2910 -1.0759 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2618 0.0767 -0.3551 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9682 -0.4817 -0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9974 -1.3159 -1.6297 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1972 -0.1668 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3130 -0.7311 -0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1814 0.8009 1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8588 0.9157 1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4564 -0.6900 1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7132 -0.4300 1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5310 0.2435 -0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3733 1.5775 -0.5742 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3779 0.0438 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6092 -1.3690 -0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3699 -1.4508 -1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2734 -0.5208 0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4146 0.5162 1.8448 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1632 0.8658 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9656 1.8235 0.6813 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