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
3.7640 -0.3578 -0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3290 -0.8165 -0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3476 0.3031 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0484 -0.2501 -0.1294 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0264 0.6047 0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7918 1.8211 0.2202 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3914 0.0974 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6282 -1.1911 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4988 1.0710 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1106 -0.0277 0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3920 -1.2158 -0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8766 0.4121 -1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1405 -1.2304 -1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1413 -1.5865 0.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5050 0.7430 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4306 1.0812 -0.8611 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6538 -1.5208 -0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8205 -1.8900 -0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3127 1.8993 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4887 0.6193 0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4733 1.4344 1.2431 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