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
3.7699 -0.4388 -0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3421 -0.3384 -0.6547 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3843 -0.0913 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0915 -0.0164 -0.0434 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0567 0.1953 0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9767 0.3366 1.9064 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3921 0.2659 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5218 0.1236 -1.2732 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6062 0.4986 0.8447 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8671 -0.4067 0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3747 0.3700 -0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2418 -1.3953 -0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2398 0.4514 -1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0679 -1.2946 -1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6952 0.8331 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5005 -0.9258 1.2271 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6509 -0.0462 -1.8849 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4978 0.1787 -1.7098 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3999 0.4849 1.9271 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0774 1.4782 0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3953 -0.2627 0.6655 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