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
-1.2336 -0.3082 -0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5373 0.7595 0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7363 0.6579 0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4760 -0.4937 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7075 -0.6606 0.2463 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3039 -1.2209 0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6977 -0.5166 -1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2628 0.0046 -0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0907 1.6088 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2509 1.4372 1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9553 -1.2679 -0.4742 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