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
-1.7189 0.8989 -0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9527 0.3385 0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4209 -0.9856 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8430 -1.2850 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9794 -0.4630 0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1467 -0.9942 0.2711 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0005 0.8738 0.6661 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1925 0.5740 -1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7239 2.0083 -0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7496 0.4754 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7056 0.2366 1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2012 1.0314 0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1246 -1.8118 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0896 -2.3401 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7307 1.4425 0.2551 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