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
-2.5956 -0.3462 0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2296 0.7276 -0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9656 1.2742 -0.0607 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1739 0.4833 -0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0068 -0.7210 -0.3980 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4815 1.0658 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5598 0.3372 -0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4648 -1.1130 -0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7004 -0.3520 0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1134 -0.2136 1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3214 -1.3645 0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9967 1.5395 -0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3050 0.3320 -1.2641 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5725 2.1171 0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5215 0.8034 0.0634 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5064 -1.5538 -0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0230 -1.3413 -1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9312 -1.6748 0.4639 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