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
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
2.9170 0.2293 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7635 -0.3186 -0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5445 0.4591 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5924 1.6685 0.4217 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7824 -0.0780 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1722 -1.2614 0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8236 0.9983 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9738 1.2566 0.6442 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8448 -0.3251 0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7461 -1.3499 -0.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6701 -0.5005 -1.3617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2320 -1.4928 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9955 -1.0721 1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5139 -2.1011 0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8470 0.6279 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6380 1.7167 0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7075 1.5429 -1.3231 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