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
-2.6041 -1.1553 0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8257 -0.2957 -0.4662 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2938 0.7898 0.2052 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4319 0.4258 1.2371 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7017 -0.3562 0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9163 -1.5845 1.1158 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5964 0.2130 -0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5742 -0.4117 -0.7746 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4234 1.5219 -0.7750 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3072 2.0672 -1.7445 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0796 -0.5162 1.2655 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3962 -1.7148 -0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9598 -1.9120 0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0166 -0.8516 -0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.1017 -1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0005 1.3948 1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9395 -0.0716 2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2786 -2.0696 1.8591 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7324 -2.1895 0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5133 3.1118 -1.4236 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2511 1.4744 -1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7712 2.0284 -2.7110 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