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
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
2.9466 -0.2944 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8002 0.1910 -0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5636 -0.1252 0.4208 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6252 -0.8938 1.4144 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7508 0.3807 0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2049 0.0156 -1.3299 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7719 -0.0104 1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0287 -0.9689 0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8810 -0.0783 -0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7900 0.8510 -1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6842 1.5057 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6844 -1.0026 -1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0204 0.7156 -1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4180 0.1219 -2.0884 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7984 -0.1122 0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7554 0.6856 1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5472 -1.0342 1.4856 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