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
-2.3760 -0.4306 -0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3635 0.6698 0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0674 0.2856 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0170 0.1076 0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2741 -0.2671 -0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3810 -0.4341 -1.5461 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4370 -0.4617 0.4399 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3428 -0.2530 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4342 -0.4717 -1.1798 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9067 -1.3738 0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7048 1.6550 -0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2367 0.7636 1.3413 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0081 0.1461 -1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9639 0.2423 1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3512 -0.1781 0.0621 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