Monomers
Crotonaldehyde
Identifiers
IUPAC name
(E)-but-2-enal
InchI
InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
InchI Key
MLUCVPSAIODCQM-NSCUHMNNSA-N
SMILES
C/C=C/C=O
Canonical SMILES
CC=CC=O
Isomeric SMILES
C/C=C/C=O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H6O
Heavy Atom Count
5
Molecular Weight
70.091
Exact Molecular Weight
70.0419
Valence Electrons
28
Radical Electrons
0
tPSA
17.07
MolLogP
0.7614
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
11 10 0 0 0 0 0 0 0 0999 V2000
-1.6887 0.0465 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2494 -0.2383 -0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5843 0.1852 0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0136 -0.0738 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4853 -0.7148 -0.5596 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7899 1.1717 -0.3344 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0551 -0.2202 0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2985 -0.4007 -1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1074 -0.7868 -1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2009 0.7547 1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6900 0.2764 1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 2 0
1 6 1 0
1 7 1 0
1 8 1 0
2 9 1 0
3 10 1 0
4 11 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers