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
-1.7334 -0.0980 -0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3011 -0.3469 0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6801 0.3889 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0769 0.1333 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4345 -0.8214 0.6853 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3466 -0.2380 0.8439 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9137 0.9406 -0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0993 -0.7749 -0.9007 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0340 -1.1787 0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4096 1.2275 -0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8271 0.7677 -0.4585 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