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
-1.0720 -0.7917 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4618 0.4885 -0.6465 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6490 0.9246 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3538 0.1532 0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9093 -0.9391 1.2583 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0289 -0.9020 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3324 -0.7783 0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3937 -1.6576 -0.4841 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9577 1.1010 -1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0469 1.8884 -0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2875 0.5131 1.2990 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