Monomers
Methyl 2-ethylacrylate
Identifiers
IUPAC name
methyl 2-methylidenebutanoate
InchI
InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h2,4H2,1,3H3
InchI Key
JKJJSJJGBZXUQV-UHFFFAOYSA-N
SMILES
CCC(=C)C(=O)OC
Canonical SMILES
CCC(=C)C(=O)OC
Isomeric SMILES
CCC(=C)C(=O)OC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.1256
H Bond Acceptors
2
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
18 17 0 0 0 0 0 0 0 0999 V2000
-2.0742 1.3574 -0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8698 -0.0792 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5382 -0.5930 -0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4323 -1.6371 -0.9948 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6960 -0.0227 0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6636 0.9655 1.1391 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9292 -0.5448 0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1321 0.0160 0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8053 2.0329 0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5390 1.6258 -1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1653 1.4898 -0.4646 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9887 -0.1036 1.2388 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6441 -0.7390 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5394 -2.0656 -1.2589 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2852 -2.1194 -1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5251 -0.5900 1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9109 -0.0510 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9458 1.0579 0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
3 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
4 14 1 0
4 15 1 0
8 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers