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
    2.7930    0.2335   -0.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4839    0.1909   -0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6154   -0.1464    0.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -0.4029    1.8721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8605   -0.1891    0.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4269    1.1449    0.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2963   -1.2473   -0.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    0.0187    0.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4218    0.4850   -1.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0340    0.4135   -1.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2953   -0.4379    1.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2409    1.4886    0.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6678    1.9351    0.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8905    1.0563   -0.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6916   -2.1452    0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0422   -0.8398   -1.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4068   -1.5576   -0.9510 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