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
-1.5087 -0.4069 -0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2390 -0.4961 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5472 0.5472 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8187 0.4770 0.8605 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5768 1.4523 0.9545 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5091 0.3975 -1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3392 -0.2222 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7733 -1.3922 -1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0698 -1.3979 0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2649 1.4870 -0.3618 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0918 -0.4455 1.3303 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