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
-1.2686 -0.3971 -0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5408 0.7865 0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7601 0.7312 0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4838 -0.4520 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7368 -0.5387 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0589 -0.5050 -1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9729 -1.3358 0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3360 -0.2278 -0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0646 1.6824 0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3122 1.5678 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9490 -1.3115 -0.4237 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