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
   -1.5518   -0.3257   -0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2197    0.5688    0.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0136    0.8346    0.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2541    0.3793    0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447    0.8082    1.0376 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4881   -0.5329   -0.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0028   -1.2713   -0.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6468   -0.6363   -0.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3997    0.1410   -1.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0811    1.0196    1.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0510    1.5390    1.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8672   -0.4058   -1.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3226   -1.5770   -0.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -0.5416   -0.9192 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