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
    2.5046   -0.2060   -0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1187   -0.5945    0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667    0.1547   -0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993   -0.2642    0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5206   -1.4011    0.5085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4791    0.5831   -0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9821    0.3202    0.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1602   -1.0828   -0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6095    0.5294   -1.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9415   -1.5907    0.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2472    1.1269   -0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2053    1.5348   -0.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9525    0.8344    0.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1737    0.0559   -0.9577 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