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
-3.0138 0.1607 1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2718 0.2029 -0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8537 0.1209 0.0606 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0749 0.1525 -1.0819 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6159 0.2492 -2.2102 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3825 0.0775 -1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9436 -0.0242 0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4346 -0.1013 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3254 0.3977 2.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4742 -0.8178 1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7983 0.9563 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6019 -0.6741 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4622 1.1220 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9827 0.1032 -1.9472 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3465 -0.0505 1.0558 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8748 0.9052 0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7676 -0.6415 1.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7600 -0.6809 -0.6949 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