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
-2.4859 0.0052 0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1462 0.6144 0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0812 -0.1305 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2683 0.3770 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4246 1.6122 -0.0469 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4681 -0.4772 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1395 0.1501 -0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3803 -1.0568 0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0293 0.4484 1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1277 1.7072 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1891 -1.2074 0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3606 -1.4435 0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3249 0.0699 0.3976 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7324 -0.6689 -1.1162 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