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
2.3075 0.4518 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2757 -0.3088 -0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0917 0.1488 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9786 -0.7106 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3552 -0.3174 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1955 -1.1371 0.6965 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7918 0.9795 0.0287 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7331 1.2810 -0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1766 -0.2397 0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9048 0.7727 1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5762 -0.1727 -1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3639 -1.3942 -0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4373 1.1631 -0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7024 -1.7532 0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7852 1.2369 0.1081 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