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
-2.0122 0.5110 0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8478 0.3398 -0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2210 -0.9299 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 -1.1315 0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0544 -0.1753 0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2004 -0.5565 0.6732 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9416 1.1850 0.0376 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7453 -0.2772 0.1911 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4471 1.5049 0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5345 0.3512 1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2794 0.2494 -1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2045 1.2181 -0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9041 -1.7953 -0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2676 -2.1788 0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7430 1.6850 -0.2668 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