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
3.4932 -0.2730 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9984 -0.2112 -0.7689 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3440 0.6446 0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0223 0.7641 0.0478 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8514 -0.3286 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3748 -1.4624 0.3097 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2788 -0.2110 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0505 -1.2784 -0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8235 1.1364 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5962 -1.0315 0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7625 0.7295 -0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0473 -0.4823 -1.3484 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8563 0.3063 -1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5819 -1.2167 -0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5528 0.1871 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8605 1.6348 0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6894 -2.2740 0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1156 -1.1898 -0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8985 1.1065 -0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2259 1.7043 -1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7624 1.7453 0.4901 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