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
-2.4428 0.8313 0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4489 0.1579 -0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1384 -0.0929 -0.9274 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5726 -0.9296 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8149 -1.2799 -0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1329 -2.5538 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8579 -0.2790 -0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0515 -0.5723 -0.6239 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5558 1.0633 -0.2185 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5318 2.0580 -0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5525 0.1393 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3077 1.5309 0.8339 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5154 1.4215 1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0025 0.7306 -1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9738 -0.8352 -0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2219 -1.8256 0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7006 -0.4447 1.0528 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1494 -2.8650 -0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4097 -3.3555 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5560 1.6564 -0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4745 2.7908 0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3426 2.6536 -1.2624 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