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
1.6278 -0.0391 0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3660 -0.3403 -0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6878 0.3521 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9644 0.0695 -0.5625 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0033 -0.8266 -1.4405 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2503 -0.9580 0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4170 0.3036 1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2095 0.7561 -0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2989 -1.0916 -0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6595 1.1374 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8544 0.6370 -0.2965 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