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
2.5059 0.4544 -0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8297 -0.4512 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4124 -0.2361 0.1683 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4107 -0.9707 1.0028 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1423 -1.8362 1.7293 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8726 -0.7644 1.0537 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5011 0.1057 0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7675 0.9752 -0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6256 -0.1066 -1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9682 1.3928 -1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5371 0.7617 -0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9666 -1.5265 -0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2782 -0.2578 1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4502 -1.3920 1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5683 0.2109 0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4595 1.6734 -1.1437 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0307 1.5771 -0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2053 0.3902 -1.3855 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