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

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
    2.9323   -0.0826    0.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6884    0.2694    0.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6027   -0.4098    0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8539   -1.3712   -0.7746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8275   -0.0870    0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1761    1.3055   -0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7365   -1.0473   -0.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1626   -0.8991   -0.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7858    0.4060    0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.0829    1.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0365   -0.2286    1.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5571    2.0793    0.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0463    1.3751   -1.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    1.4484   -0.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7324   -1.0701   -0.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862   -0.7194   -1.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2645   -2.0515   -0.5267 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