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
1.8891 -1.9886 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2134 -0.8805 0.8399 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0437 -0.7226 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3375 -1.6505 -0.7833 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7341 0.5274 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1962 1.6473 -0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8906 0.4201 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7536 -2.1195 1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5996 -2.7927 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5095 -0.0804 1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1150 0.7761 1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3469 2.5556 -0.7002 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8082 1.9348 0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8783 1.2753 -1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1514 -0.6740 -0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5461 0.7588 -1.9531 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7701 1.0134 -0.5924 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