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
2.9365 0.1352 0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7074 0.0034 0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6352 -0.2797 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8675 -0.4019 -1.5881 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7505 -0.4297 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6924 -0.7201 -1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2665 0.8145 0.7998 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1639 0.0361 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7274 0.3429 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5047 0.1099 1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7492 -1.2797 0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1339 -1.1485 -1.9221 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4522 -1.4488 -0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2003 0.2167 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1780 0.4747 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6238 1.5498 0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4959 1.2416 1.4773 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