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
-1.3116 0.4595 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5583 -0.7203 0.5292 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7521 -0.7574 0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5560 0.3629 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8092 0.3555 0.0677 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8496 1.4196 0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2215 0.4684 -1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3613 0.3911 0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1437 -1.5821 0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2684 -1.6397 0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0604 1.2423 -0.2675 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