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
-2.2937 0.0406 0.5664 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3885 -0.5028 -0.4885 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0010 -0.4756 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9739 0.2008 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2934 0.1736 0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5190 -0.4857 1.0874 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3035 0.8862 -0.5486 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7077 0.7937 1.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6359 -0.7467 1.2822 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1647 0.6087 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4418 0.1712 -1.3703 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6469 -1.5291 -0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2007 -1.0418 0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8076 0.7941 -1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1801 1.1128 -0.0974 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