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
-2.3271 0.1631 -0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2380 -0.7991 0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1112 -0.3165 -0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0058 -0.1211 0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3450 0.3562 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2031 0.5453 1.2511 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7384 0.6218 -0.9459 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1322 0.0959 0.4572 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6755 0.0202 -1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8803 1.1887 -0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2719 -0.9474 1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3700 -1.8027 -0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3781 -0.1205 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7487 -0.3144 1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3647 1.4305 -1.0734 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