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
-1.9896 0.3687 0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1820 -0.8956 0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1722 -0.6820 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6522 0.4922 -0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9960 0.6994 -0.7353 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4627 1.7952 -1.0710 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8364 -0.4194 -0.8570 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0459 0.0734 0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0188 0.9308 -0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6625 1.0076 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7107 -1.5737 -0.0796 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1903 -1.3540 1.6532 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8335 -1.5282 0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0023 1.3431 -0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8446 -0.2575 -0.7795 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