Monomers
cis-Pent-2-enoic acid
Identifiers
IUPAC name
(Z)-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-ARJAWSKDSA-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
-2.0238 0.1986 0.4803 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3793 0.1153 -0.8643 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0905 -0.0580 -0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7535 -0.1304 0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1870 -0.2999 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8052 -0.3788 -0.7521 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9543 -0.3845 1.4965 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5152 0.9769 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0924 -0.7555 1.0175 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0591 0.5896 0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7770 -0.7665 -1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6686 1.0098 -1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6140 -0.1250 -1.7429 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2318 -0.0638 1.2751 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8791 0.0723 1.4606 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