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
-1.1744 -0.3491 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6425 0.0461 -0.7634 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6481 0.3107 -0.8415 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5292 0.2297 0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7535 0.4872 0.1814 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2806 0.5164 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5560 -1.1218 1.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2038 -0.7747 0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2939 0.1131 -1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0387 0.5996 -1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1816 -0.0570 1.2772 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