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
-1.0376 -0.9296 -0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6392 0.2552 0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4923 0.8940 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4524 0.4612 -0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5297 1.0599 -0.6574 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6242 -1.8298 0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1446 -0.9907 -0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6932 -0.8669 -1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3338 0.6024 1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7129 1.7405 1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2853 -0.3963 -1.1640 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