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
    2.7153   -0.3058    0.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4473   -0.0047    0.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6372   -0.3823   -0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2009   -1.0013   -1.3516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7850   -0.0978   -0.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1410    1.3585   -0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5112   -0.8461    0.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1596   -0.8349   -0.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3141   -0.0303    1.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0377    0.5320    1.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1641   -0.5294   -1.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5766    1.9658    0.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2282    1.4307   -0.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0187    1.7690   -1.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9378   -1.7349    0.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5087   -1.1828    0.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6407   -0.1055    1.3824 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