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
2.3988 -0.3315 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3602 0.5650 -0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0503 -0.0889 -0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0628 0.3700 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 -0.3042 -0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4758 -1.3572 -0.8179 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4716 0.2072 0.4638 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7385 0.0860 1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9604 -1.3294 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3249 -0.4135 -0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7344 0.8706 -1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2683 1.4933 0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0402 -0.9909 -1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0546 1.2803 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3915 -0.0568 0.0772 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