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
-1.7121 -0.2491 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2444 -0.4679 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6094 0.5354 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0399 0.3496 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5925 -0.7810 -0.0162 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1614 -0.3002 -0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2389 -1.0428 0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8805 0.7302 0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0844 -1.5047 0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2038 1.5339 -0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7073 1.1967 -0.1561 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