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
1.5074 -0.7489 0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4473 0.2854 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7131 -0.0773 -0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7700 0.9120 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8810 0.5800 -0.8684 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0442 -1.7062 0.6301 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9891 -0.9239 -0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2102 -0.4213 1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6210 1.2902 0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8953 -1.0972 -0.6219 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5596 1.9070 -0.0427 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