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
-2.2385 0.5259 -0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3646 -0.3550 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0608 0.0589 0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0052 -0.7637 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3955 -0.3595 -0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2759 -1.1605 -0.4874 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8377 0.8948 0.3093 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6432 1.3628 -0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0950 0.9033 0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7054 -0.0602 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6888 -0.2785 1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4709 -1.4291 0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3182 1.0550 0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7169 -1.7554 -0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5960 1.3613 -0.2078 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