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
1.6522 0.2884 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3058 -0.2914 0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6392 -0.0266 -0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9627 -0.6087 -0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3347 -1.3903 0.5018 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0862 0.3100 1.3434 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6248 1.3732 -0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3630 -0.2904 -0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0360 -0.9594 1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4365 0.6375 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6950 -0.3656 -1.1571 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