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
-3.0104 0.0804 -0.7427 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5211 0.4841 0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1653 0.8095 0.6529 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1408 -0.0583 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4901 -1.2131 -0.0565 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2604 0.3272 0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1953 -0.5387 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 -0.2218 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6352 0.7700 -1.5311 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7309 -0.9785 -0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1189 0.1272 -0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0858 1.3997 0.9375 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8041 -0.3149 1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5521 1.3177 0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9309 -1.5557 -0.3288 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8428 0.8527 0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1558 -0.7479 0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1280 -0.5397 -0.9525 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