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
2.4142 0.2069 0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6386 -0.2585 1.2542 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2268 -0.5436 1.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4355 -0.9894 2.0604 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5083 -0.3345 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4360 1.1309 -0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9610 -0.7186 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9946 0.3954 -0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4640 0.4171 0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0842 -0.4380 2.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0401 -0.9602 -1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4610 1.5622 -0.4133 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0460 1.2918 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1767 1.6458 0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6412 0.0571 -0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2031 -1.6680 -0.5858 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2670 -0.7964 1.0102 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