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
-2.7814 0.7079 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6121 0.9063 -0.3441 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2700 0.6863 -0.6524 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9388 -0.6164 -0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4866 -0.8691 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7716 -1.8398 -1.4482 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5063 -0.0443 0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2406 0.8842 0.8207 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8720 -0.2359 -0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8536 0.5858 0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9779 -0.3583 1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6921 1.2754 1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8875 0.9915 1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8545 1.9609 -0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2608 0.1756 -0.8663 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0278 -0.6853 0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6123 -1.3610 -0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8042 -2.0591 -1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0251 -2.4618 -1.9183 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7649 0.6732 -0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4262 1.5968 0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1642 0.0872 1.3252 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