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
    2.7577   -0.7347   -0.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5918   -0.7037    0.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6183    0.2979   -0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8577    1.1141   -1.1479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7073    0.3770    0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3777   -0.9755    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5044    1.5037   -0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0021   -0.0630   -1.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4790   -1.4612   -0.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3451   -1.3724    0.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5762    0.4748    1.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -1.2555   -0.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6838   -1.7224    0.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3502   -1.0453    0.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5344    1.2551   -0.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0130    1.9793   -1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5049    2.3319    0.6493 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