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
-2.1946 0.2407 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0422 -0.6180 -0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0997 0.2186 -1.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1580 0.4517 -0.8862 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9550 -0.0474 0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4629 -0.8112 1.0489 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3015 0.2609 0.3756 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0698 0.5690 1.1337 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2820 1.0906 -0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1578 -0.3474 0.0659 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4645 -1.3439 -1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6518 -1.2231 0.4139 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5102 0.7247 -2.0466 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6874 1.1207 -1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9079 -0.2858 0.9954 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