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
    2.8936    0.2338    0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6320    0.5328    0.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6099   -0.4760    0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9540   -1.6234   -0.1259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7979   -0.0850    0.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1147    1.0490   -0.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7734   -1.1936    0.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7050    0.9368    0.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1550   -0.7642   -0.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4137    1.5479    0.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8921    0.3012    1.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0160    1.5569   -0.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2360    1.6962   -0.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4029    0.6300   -1.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7593   -0.8498    0.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5337   -2.1211    0.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8372   -1.3715   -0.8692 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