Monomers
2-Pentenoic acid
Identifiers
IUPAC name
(E)-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-ONEGZZNKSA-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
-2.2386 0.5891 -0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3707 -0.5457 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0093 -0.1366 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0766 -0.6076 -0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4213 -0.1875 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4142 -0.6679 -0.5977 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5925 0.7399 0.9803 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0119 0.1921 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6674 1.1763 0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6035 1.2879 -1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3363 -1.2922 -0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8354 -1.0140 0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1592 0.5952 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9294 -1.3410 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4799 1.2121 1.1856 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