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
-3.0072 0.3453 0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4373 0.0570 -0.9199 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0901 0.3910 -1.0643 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1432 -0.2060 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5552 -1.0377 0.6009 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2771 0.1276 -0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1788 -0.4301 0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6007 -0.0477 0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2615 0.9221 1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9774 0.9025 0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2501 -0.5894 0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6744 -0.9881 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0080 0.6903 -1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5603 0.8427 -1.1217 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9531 -1.1611 1.1545 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7489 0.2838 -0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2842 -0.9042 0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8012 0.8023 0.8780 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