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
-3.2692 0.8730 0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9852 -0.0853 -0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7889 -0.7329 -0.2623 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6991 0.1291 -0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5748 -0.6063 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5809 -1.9235 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8157 0.1444 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8623 1.3995 -0.0074 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0507 -0.4984 0.2275 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2482 0.2520 0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9201 1.8973 0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6934 0.5280 1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3423 0.8401 0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0525 0.5081 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7851 -0.8539 -0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5973 0.6969 -1.1696 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8075 0.9086 0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5007 -2.4777 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3223 -2.5149 -0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0603 1.2507 0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0455 -0.2610 0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5237 0.5262 -0.7518 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