Monomers
2-Pentenoic acid
Identifiers
IUPAC name
(E)-pent-2-enoic acid
InchI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
InchI Key
YIYBQIKDCADOSF-ONEGZZNKSA-N
SMILES
CC/C=C/C(=O)O
Canonical SMILES
CCC=CC(=O)O
Isomeric SMILES
CC/C=C/C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
37.3
MolLogP
1.0372
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-1.9648 0.1999 0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7836 -0.6927 0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2532 -0.1786 -0.9848 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9522 0.2651 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0575 0.3536 -0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1934 0.8144 -0.6890 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0386 -0.0190 1.0297 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7877 -0.3959 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3243 0.7756 -0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5955 0.9578 1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 -1.7265 0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1002 -0.7391 1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9566 -0.1644 -1.8318 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1856 0.6199 -2.2542 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 0.5465 1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
4 5 1 0
5 6 2 0
5 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
3 13 1 0
4 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers