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
-1.8305 0.9774 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9430 -0.2186 0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2500 -0.7261 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0261 -0.7834 -0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0450 -0.3677 0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2750 -0.5178 -0.3003 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8721 0.1693 1.2907 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3912 1.3546 0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1809 1.7646 -0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5784 0.5954 -0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6912 -0.9884 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3170 0.1207 1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9003 -1.0837 -1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4051 -1.2081 -1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4595 0.9119 1.6930 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