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
2.9082 -0.3318 0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7162 -0.4563 -0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6120 0.4325 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7962 1.3643 0.9552 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6953 0.2301 -0.5264 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7120 1.2608 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2773 -1.1377 -0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1309 0.4597 1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7260 -0.9990 0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5665 -1.2588 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4943 0.3343 -1.6309 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2599 0.8976 0.7845 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4348 1.3770 -0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2215 2.2534 0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6291 -1.5718 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1701 -1.0602 0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5618 -1.7941 0.2922 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