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
3.4050 -0.1494 0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0201 -0.4995 0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0570 0.4461 0.6504 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2761 0.1834 0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5111 -0.8586 -0.3917 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3439 1.0869 0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5811 0.8755 0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9577 -0.3229 -0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5391 0.9451 0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6328 -0.6943 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1105 -0.5318 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9689 -0.6057 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7105 -1.4729 0.7449 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1636 2.0089 1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3728 1.5617 0.5127 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0699 -0.3577 -0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4484 -0.3957 -1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7195 -1.2190 0.0749 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