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
2.8487 -0.5330 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6287 -0.7244 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6334 0.3401 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9681 1.4691 -0.4520 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7317 0.1530 0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5274 1.4358 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4474 -0.9786 -0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1049 0.4497 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6001 -1.2907 -0.5648 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3915 -1.7169 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6782 -0.2038 1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1401 2.1331 1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6043 1.2862 0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2374 1.9055 -0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1615 -1.4787 0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0008 -0.5860 -1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6467 -1.6604 -0.5749 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