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
2.2875 -0.5554 -0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8415 0.6355 -0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4529 0.9528 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0552 2.0923 -0.5667 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5015 0.0328 0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7612 -1.2283 -0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8104 0.7619 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6234 -1.2537 0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3278 -0.7866 -0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5018 1.3643 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0425 -0.2266 1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1269 -1.3230 -1.2831 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8552 -1.2601 -0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6056 -2.0930 0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4268 0.7207 -0.2909 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3353 0.3346 1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6247 1.8319 0.8735 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