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
-3.0928 -0.0920 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3259 -0.7189 1.0621 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9802 -0.9753 0.7553 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0835 0.0134 0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5217 1.1834 0.3557 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3068 -0.2815 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1310 0.6884 -0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5512 0.3991 -0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4773 0.4071 -0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7358 -0.8402 -0.5993 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8028 0.6403 0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4061 -0.1237 2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8133 -1.6998 1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6849 -1.2886 0.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8249 1.7217 -0.3086 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6620 -0.6708 -0.8553 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2050 0.6027 0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8734 1.0346 -1.4193 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