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
    2.8487   -0.5330   -0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6287   -0.7244   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334    0.3401   -0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9681    1.4691   -0.4520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7317    0.1530    0.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5274    1.4358    0.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4474   -0.9786   -0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1049    0.4497   -0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6001   -1.2907   -0.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3915   -1.7169    0.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6782   -0.2038    1.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1401    2.1331    1.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6043    1.2862    0.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2374    1.9055   -0.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1615   -1.4787    0.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0008   -0.5860   -1.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6467   -1.6604   -0.5749 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