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
    2.2776    0.4328    0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8073    0.3160    0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1481   -0.7778    0.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2914   -0.8769    0.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8914   -1.9333    0.7465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1159    0.2641   -0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7964    0.0423   -0.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6359   -0.2279    1.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6162    1.4672    0.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2790    1.1985   -0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130   -1.6231    0.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1135   -0.0668   -0.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6003    0.7666   -0.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2611    1.0184    0.7469 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