Monomers
Ethyl vinyl ketone
Identifiers
IUPAC name
pent-1-en-3-one
InchI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InchI Key
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Canonical SMILES
CCC(=O)C=C
Isomeric SMILES
CCC(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
H Bond Acceptors
1
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
14 13 0 0 0 0 0 0 0 0999 V2000
2.2070 -0.2673 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8229 -0.6735 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2165 0.2505 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1032 1.2649 -0.8283 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6149 0.0204 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5794 0.8381 -0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7076 0.1533 0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2401 0.4961 -0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8235 -1.1486 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6415 -1.7237 -0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7216 -0.7575 1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9114 -0.8509 0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6201 0.6602 -0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3250 1.7380 -0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
1 7 1 0
1 8 1 0
1 9 1 0
2 10 1 0
2 11 1 0
5 12 1 0
6 13 1 0
6 14 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers