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
2.0458 0.2000 -0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2119 -1.0488 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2083 -0.6986 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5808 0.5642 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0030 0.8863 -0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3354 2.0890 -0.1553 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0088 -0.0647 -0.0034 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1114 -0.1305 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7972 0.8337 0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8177 0.7411 -0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4435 -1.6818 -0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4418 -1.6411 0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9389 -1.4923 0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1152 1.3843 -0.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9093 0.0590 -0.4897 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