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
-3.0948 0.9479 -0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6251 -0.0759 0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6135 0.3815 1.4336 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4386 0.7475 0.9055 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4682 -0.2667 0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2001 -1.5389 0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7612 0.1076 -0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0492 1.3235 -0.2816 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6456 -0.8031 -0.7619 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8829 -0.4604 -1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5889 0.7604 -1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8893 1.9755 -0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1715 0.7569 -0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5575 -1.0156 0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5149 -0.2128 1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5268 1.6181 0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1505 1.2478 1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7061 -1.9071 0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8724 -2.3001 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6055 -0.2062 -0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2858 -1.3924 -1.8274 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8055 0.3123 -2.1164 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