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
-1.6977 0.2796 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3573 -0.2877 -0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7179 0.2365 0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0337 -0.3594 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0480 0.1518 0.6826 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7400 1.2052 0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1530 0.5424 -1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4119 -0.4573 0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2277 -1.1888 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5940 1.1378 0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1940 -1.2600 -0.4266 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