Monomers
Ethyl crotonate
Identifiers
IUPAC name
ethyl (E)-but-2-enoate
InchI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+
InchI Key
ZFDIRQKJPRINOQ-HWKANZROSA-N
SMILES
CCOC(=O)/C=C/C
Canonical SMILES
CCOC(=O)C=CC
Isomeric SMILES
CCOC(=O)/C=C/C
Resources
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
-3.5770 0.1958 0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4329 -0.1762 -0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1693 0.1056 0.2780 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0255 -0.1637 -0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0397 -0.6624 -1.5204 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3253 0.1172 0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4560 -0.1425 -0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7887 0.1113 0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0204 1.1715 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4037 -0.5378 0.5288 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1614 0.3496 1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4668 0.4772 -1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4665 -1.2237 -0.7024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3590 0.5422 1.2397 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4144 -0.5752 -1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1934 1.1112 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7118 0.0141 1.3072 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4636 -0.7142 -0.1257 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 2 0
4 6 1 0
6 7 2 3
7 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
6 14 1 0
7 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