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
2.8728 0.0079 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7215 -0.0457 0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4953 0.3663 -0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5445 0.7831 -1.5185 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7878 0.3092 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8920 0.7886 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0102 -1.1328 0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9015 0.3668 -1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8098 -0.2800 0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6792 -0.3950 1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7085 0.9787 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4436 1.6463 -0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4682 1.1145 -1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5469 -0.0808 -0.7178 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0276 -1.6493 0.9583 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5195 -1.1497 1.8199 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6203 -1.6283 0.0576 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