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
2.7862 0.3567 -0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4973 0.0928 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6095 0.2776 0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0950 0.6953 1.5829 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8258 0.0076 0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1647 -1.4287 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5373 0.9063 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4799 0.2379 -1.3469 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1841 0.7175 0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1452 -0.2635 -1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2888 0.2250 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9476 -2.0214 1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 -1.7824 -0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2698 -1.4419 0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2382 0.6309 -1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6456 0.8319 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2657 1.9583 -0.2517 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