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
Resources
cid=

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
    2.2434   -0.4475   -0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7841   -0.2101   -0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1823    0.2095    0.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2717    0.4593    0.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7755    0.8584    1.8571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0702    0.2407   -0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353   -0.9146    0.7045 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7766    0.5058   -0.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5126   -1.1692   -1.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2515   -0.3871   -1.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7805    0.3638    1.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7520   -0.6779   -0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1319    0.0560   -0.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0649    1.1130   -1.1249 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