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
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
2.3737 -0.2857 -0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6976 0.1683 -1.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2964 0.4981 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2798 0.9310 -2.1780 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5201 0.3526 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5340 -1.0771 0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9322 0.8034 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8886 -0.4297 0.8024 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4243 -0.5326 -0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2325 0.2931 -2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1145 0.9650 0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0876 -1.6944 -0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5656 -1.5097 0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2220 -1.2267 1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4837 -0.0097 -0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4557 1.0995 0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8931 1.6545 -0.8533 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