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
-2.2060 0.4004 -0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3392 -0.5914 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0925 -0.3258 -0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8389 -0.0558 0.8532 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2596 0.2124 0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7805 0.1840 -0.4243 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0625 0.4985 1.8126 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6612 1.0575 -0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0522 -0.0980 -1.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5993 1.0265 -1.4701 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5697 -1.5932 -0.4878 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6572 -0.6729 1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5584 -0.3450 -1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4161 -0.0270 1.8328 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0761 0.3298 1.7294 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