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
-3.4332 -0.1205 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0333 0.3339 0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0608 -0.4004 -0.2555 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2900 -0.0910 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5407 0.8234 0.7771 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3425 -0.8184 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6170 -0.5713 -0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0268 0.4901 0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1173 -0.0008 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3739 -1.2011 -0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8237 0.3840 -0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8965 0.2167 1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9841 1.4199 0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0682 -1.6111 -1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3404 -1.1541 -1.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1603 0.5316 0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7006 0.2785 1.3853 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6362 1.4908 0.0748 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