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
-1.6556 0.2880 1.2014 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 0.2114 -0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2304 -0.9930 -0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0372 -1.0434 -0.6506 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9803 0.0256 -0.8643 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2094 -0.2328 -1.1393 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6360 1.3456 -0.7897 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9333 0.6227 1.9649 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 -0.6635 1.4944 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4511 1.0613 1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 1.1419 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9097 0.1641 -0.8836 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7453 -1.9697 -0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4455 -2.0882 -0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2760 2.1298 -0.7743 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