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
    2.8728    0.0079   -0.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7215   -0.0457    0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4953    0.3663   -0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5445    0.7831   -1.5185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7878    0.3092    0.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8920    0.7886   -0.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0102   -1.1328    0.8283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9015    0.3668   -1.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8098   -0.2800    0.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -0.3950    1.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7085    0.9787    1.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4436    1.6463   -0.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4682    1.1145   -1.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5469   -0.0808   -0.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -1.6493    0.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5195   -1.1497    1.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6203   -1.6283    0.0576 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