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
2.6568 0.7942 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4307 -0.6460 -0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2256 -1.0477 -0.9384 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0208 -0.7767 -0.4470 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7038 0.3561 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1581 1.4506 -0.4584 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0726 0.3861 0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6962 1.5248 0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7628 -0.8826 0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0688 1.1160 0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7357 0.9797 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4800 1.4544 -0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3205 -0.9991 -0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5483 -1.2711 0.7641 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2699 -0.6311 -2.0064 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3689 -2.1601 -1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1824 2.4409 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6805 1.5638 0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4690 -1.1891 -0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3543 -0.7807 1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0048 -1.6825 0.7374 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