Monomers

1-Penten-3-one, 4-methyl-

Identifiers

IUPAC name
4-methylpent-1-en-3-one
InchI
InChI=1S/C6H10O/c1-4-6(7)5(2)3/h4-5H,1H2,2-3H3
InchI Key
SNOYUTZWILESAI-UHFFFAOYSA-N
SMILES
C=CC(=O)C(C)C
Canonical SMILES
CC(C)C(=O)C=C
Isomeric SMILES
CC(C)C(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O
Heavy Atom Count
7
Molecular Weight
98.145
Exact Molecular Weight
98.0732
Valence Electrons
40
Radical Electrons
0
tPSA
17.07
MolLogP
1.3975
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

 17 16  0  0  0  0  0  0  0  0999 V2000
    1.9125   -0.6954    1.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9166   -0.2953   -0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7783    0.3000   -0.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8399    0.6743   -1.9220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4821    0.4695    0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5140    1.1690   -0.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0062   -0.8891    0.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0694   -0.6213    1.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8061   -1.1428    1.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284   -0.4183   -0.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3219    1.0829    0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4135    2.2657   -0.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5426    0.9080   -0.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3570    0.8285   -1.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621   -1.6444    0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2717   -0.9485    1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9801   -1.0427   -0.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  5 11  1  0
  6 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
  7 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers