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
-1.5256 0.7800 0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4639 -0.2360 0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7374 -0.0154 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8222 -0.9679 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9354 -0.6457 -0.7050 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0962 1.7326 -0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9429 1.0301 1.1345 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3777 0.4731 -0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7033 -1.1871 0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9193 0.9877 -0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6952 -1.9515 0.1574 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