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
-2.9563 -0.5326 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2612 0.4445 0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 0.2558 0.5243 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1200 0.3851 -0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7769 0.6699 -1.6879 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3241 0.2013 -0.6903 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0090 -0.0969 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4807 -0.2664 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0350 -0.5484 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9635 -0.1315 -1.4387 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5088 -1.5537 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6599 0.4002 1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5214 1.4750 0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8152 0.3180 -1.6381 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5174 -0.2172 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9218 -0.1069 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7590 -1.2521 -0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8262 0.5557 -0.4232 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