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
-1.3010 -0.1608 0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4753 -0.0247 -0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8330 0.1212 -0.7751 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4390 0.1431 0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6961 0.2804 0.6843 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1541 0.6749 1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0252 -1.1027 0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3740 -0.1577 0.0942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9081 -0.0390 -1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4503 0.2231 -1.6768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8193 0.0423 1.4073 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