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
-3.4989 0.7562 -0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4363 -0.2994 -0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1649 0.2926 -0.3359 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0091 -0.4407 -0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1020 -1.6720 -0.0088 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3069 0.1967 -0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4165 -0.5051 -0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7636 0.0951 -0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1959 1.6732 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4788 0.4299 0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6431 0.9515 -1.4593 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5379 -1.0742 -0.9753 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5443 -0.8434 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4150 1.2515 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3292 -1.5622 -0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1889 0.2498 0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4363 -0.5903 -0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7366 1.0907 -0.9036 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