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
-2.4961 0.0108 -0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1534 -0.6030 -0.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0563 0.1413 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2618 -0.4308 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3758 -1.6969 -0.1373 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4656 0.4212 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4714 0.9763 0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2901 -0.5992 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6731 0.2515 -1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1172 -1.6774 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1575 1.2086 -0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6961 0.9200 0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2806 1.2438 -1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3351 -0.1662 -0.6805 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