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
2.9432 -0.0126 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7566 0.2984 0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5697 -0.4705 -0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6991 -1.4451 -0.9286 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7497 -0.1266 0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1902 1.2755 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7989 -1.0730 -0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0150 -0.8563 -0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8198 0.5578 0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6896 1.1573 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7917 -0.1815 1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7294 2.0396 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2934 1.3296 0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9139 1.4556 -1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6106 -2.0632 0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8319 -0.7106 0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5833 -1.1743 -1.2645 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