Monomers
Methyl 2-ethoxymethylacrylate
Identifiers
IUPAC name
methyl 2-(ethoxymethyl)prop-2-enoate
InchI
InChI=1S/C7H12O3/c1-4-10-5-6(2)7(8)9-3/h2,4-5H2,1,3H3
InchI Key
FKAHXBRRBLPYTM-UHFFFAOYSA-N
SMILES
CCOCC(=C)C(=O)OC
Canonical SMILES
CCOCC(=C)C(=O)OC
Isomeric SMILES
CCOCC(=C)C(=O)OC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H12O3
Heavy Atom Count
10
Molecular Weight
144.17
Exact Molecular Weight
144.0786
Valence Electrons
58
Radical Electrons
0
tPSA
35.53
MolLogP
0.7521
H Bond Acceptors
3
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
22 21 0 0 0 0 0 0 0 0999 V2000
-4.0688 -0.2560 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7712 0.3062 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6634 -0.3607 -0.3477 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5326 0.2592 0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7221 -0.3104 -0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7723 -1.3124 -1.1679 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9769 0.2543 0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0246 1.2115 0.9826 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2206 -0.2428 -0.2625 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4251 0.3296 0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5834 0.4521 -0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7584 -0.3047 0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0107 -1.2731 -0.6518 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6712 1.3688 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6298 0.2384 1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5907 1.3302 -0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5891 0.2909 1.2927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7128 -1.7154 -1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1185 -1.7830 -1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1983 -0.4224 0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7688 1.0506 -0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1663 0.8891 1.1698 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 3
5 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
1 11 1 0
1 12 1 0
1 13 1 0
2 14 1 0
2 15 1 0
4 16 1 0
4 17 1 0
6 18 1 0
6 19 1 0
10 20 1 0
10 21 1 0
10 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers