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
    2.3366    0.5212    0.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8738   -0.6883   -0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4564   -0.9984    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1390   -2.1850   -0.2358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5909   -0.0032    0.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9780   -0.6606    0.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6359    1.1150   -0.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6147    1.2838    0.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3757    0.8006    0.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6313   -1.4326   -0.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4116    0.3791    1.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9413   -1.6123    0.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6834    0.0396    0.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1988   -0.8525   -0.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5619    2.0677   -0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6210    1.1687   -1.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1952    1.0574   -1.4257 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