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
2.9161 -0.3341 -0.6877 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7922 -0.1890 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5414 0.2049 -0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5654 0.4061 -1.8938 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7215 0.3739 0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1738 -0.8928 0.7706 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8034 0.8825 -0.8489 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 -0.1756 -1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8080 -0.6269 -0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7495 -0.3566 1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5516 1.2056 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4675 -1.7234 0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2056 -0.7255 1.8677 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2082 -1.1314 0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4671 1.8272 -1.3128 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0826 0.1290 -1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6860 1.1260 -0.2100 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