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
2.0014 0.2728 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3789 -0.9110 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 -0.7790 0.5615 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7318 0.2844 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1765 0.3851 0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8556 -0.5255 0.7836 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8871 1.4888 -0.2180 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0809 0.0457 -0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9573 1.1951 0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5987 0.4699 -1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7687 -0.9661 1.4767 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5914 -1.8318 -0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7011 -1.5542 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1392 1.0581 -0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7846 1.3676 -0.7111 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