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
3.1676 0.9202 -0.5401 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6325 -0.5064 -0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9022 -0.8220 0.5350 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7660 -0.2282 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4130 -0.5240 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4116 -1.3376 -0.9645 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7122 0.1416 0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7385 0.9308 1.3362 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8556 -0.0905 -0.3662 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0800 0.5487 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5556 1.2363 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0140 0.9247 -1.2589 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3803 1.5881 -0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5373 -1.1686 -0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1356 -0.6265 -1.4913 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8076 0.8951 0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4799 -0.6166 1.9121 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3301 -1.4954 -1.5242 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4287 -1.8985 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5028 0.1729 0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9606 1.6685 -0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8027 0.2873 -0.8385 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