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
2.9458 -0.0392 0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7527 -0.2704 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5573 0.4203 0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6792 1.2589 1.1451 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7572 0.1608 -0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1999 -1.2806 -0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8143 1.0896 0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8291 -0.5568 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0800 0.6790 1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7012 -1.0136 -1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7143 0.3475 -1.4785 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0365 -1.4145 -0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5651 -1.4344 0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3790 -1.9566 -0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8347 0.6972 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5629 1.2225 1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6814 2.0904 -0.3112 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