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
1.2595 -0.2872 -0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3586 -0.3577 0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8744 0.0510 0.7398 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3896 0.5975 -0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7124 0.7018 -1.5478 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4262 0.7363 -0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8671 -0.9354 -1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2987 -0.6596 -0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7364 -0.7615 1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5246 -0.0142 1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4453 0.9290 -0.5025 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