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
    2.8924   -0.2049   -0.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7884    0.1748   -0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5192   -0.5123   -0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5019   -1.5120   -1.0725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7068   -0.0642    0.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0948    1.3455   -0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8488   -0.9688   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9007   -1.0633   -1.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7922    0.3511   -0.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8315    1.0501    0.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5635   -0.0734    1.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1536    1.4062   -1.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0921    1.5348    0.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4023    2.1067    0.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8462   -0.5153    0.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7131   -1.9250    0.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8049   -1.1300   -1.1143 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