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
2.6111 0.5172 -0.8468 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2569 -0.7296 -0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4149 -0.4668 1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1863 0.1319 0.8937 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7560 -0.4930 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4270 -1.6055 -0.3940 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0638 0.0732 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8880 -0.6023 -0.9707 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5238 1.3729 0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8240 1.3520 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5322 0.2792 -1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8336 0.7735 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2411 -1.1302 0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8748 -1.5087 -0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9928 0.2004 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3354 -1.4385 1.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8797 -0.2307 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6142 -1.5608 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3334 1.7890 -0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6736 2.0726 0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9436 1.2043 1.3617 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