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
2.8202 -0.6039 -0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6089 -0.6980 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6402 0.3488 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9472 1.3711 -0.7432 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7324 0.2390 0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5211 1.4628 0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3920 -1.0162 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5720 -1.3709 -0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1210 0.2587 -0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3288 -1.5638 0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6520 0.2235 1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9300 2.3627 0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 1.4877 -1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4809 1.5282 0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4433 -0.7903 -0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3837 -1.7926 0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8233 -1.4468 -0.9396 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