Monomers
Pent-3-en-2-one
Identifiers
IUPAC name
pent-3-en-2-one
InchI
InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3
InchI Key
LABTWGUMFABVFG-UHFFFAOYSA-N
SMILES
CC=CC(=O)C
Canonical SMILES
CC=CC(=O)C
Isomeric SMILES
CC=CC(=O)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
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
14 13 0 0 0 0 0 0 0 0999 V2000
-2.4783 -0.2288 0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1675 0.4890 0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0625 -0.1566 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2230 0.5095 0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2841 1.7253 0.3787 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4739 -0.2019 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3328 0.4763 0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6092 -0.8735 1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5011 -0.9038 -0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1945 1.5270 0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0864 -1.2025 -0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6317 -0.2496 -1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3368 0.3370 0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4829 -1.2474 0.1274 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
4 6 1 0
1 7 1 0
1 8 1 0
1 9 1 0
2 10 1 0
3 11 1 0
6 12 1 0
6 13 1 0
6 14 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers