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
-1.7279 -0.0859 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3441 -0.2968 -0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6898 0.2904 0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0362 0.1024 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0057 0.6742 0.3148 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4684 -0.0089 -0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0221 -0.9454 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7495 0.8218 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2161 -0.9555 -1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5107 0.9390 1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2857 -0.5354 -1.0887 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